Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.62 |
| ▸ | CHRM2 known ✓ | P08172 | 10/20 | 0.56 |
| ▸ | CHRM4 known ✓ | P08173 | 4/20 | 0.56 |
| ▸ | CHRM5 known ✓ | P08912 | 4/20 | 0.56 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.56 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.56 |
| ▸ | BCHE known ✓ | P06276 | 3/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.56 |
| ▸ | GRIN1 known ✓ | Q05586 | 3/20 | 0.53 |
| ▸ | GRIN2A known ✓ | Q12879 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9965797 | 0.98 | ATM (0.67) | ATML3MBTL1MAPTALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL11350503 | 0.84 | ATM (0.59) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL9416002 | 0.84 | ATM (0.63) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL31113981 | 0.82 | ALDH1A1 (0.62) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL21346316 | 0.82 | ALDH1A1 (0.62) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL23330757 | 0.82 | ATM (0.49) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL4901405 | 0.82 | L3MBTL1 (0.61) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL12000676 | 0.81 | TACR1 (0.48) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL3670110 | 0.81 | ATM (0.73) | ATML3MBTL1MAPTALDH1A1GAA | |
| SCHEMBL21346095 | 0.81 | HTR2A (0.49) | ATML3MBTL1MAPTALDH1A1GAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2183252-B1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2015-01-14 | — | — | EP | disclosed |
| EP-1496053-B1 | Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO LTD (JP) | 2012-06-20 | — | — | EP | disclosed |
| US-8143243-B2 | 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| EP-2396329-A1 | Compounds for the treatment of hepatitis c | Bristol-Myers Squibb Company (US) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010093359-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-19 | — | — | WO | disclosed |
| EP-2183252-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2010-05-12 | — | — | EP | disclosed |
| CN-1642929-B | Kappa-opioid receptor agonists containing 2-phenylbenzothiazoline derivatives | SANTEN PHARMACEUTICAL CO LTD | 2010-05-12 | — | — | CN | disclosed |
| US-7652004-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-01-26 | — | — | US | disclosed |
| US-20090275561-A1 | Compounds for the Treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY | 2009-11-05 | — | — | US | disclosed |
| CN-100522954-C | Kappa-opioid receptor agonist composed of 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO LTD (JP) | 2009-08-05 | — | — | CN | disclosed |
| EP-2042173-A2 | Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-04-01 | — | — | EP | disclosed |
| US-20090074715-A1 | Compounds for the Treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY | 2009-03-19 | — | — | US | disclosed |
| WO-2009029384-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-05 | — | — | WO | disclosed |
| US-7410987-B2 | Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2008-08-12 | — | — | US | disclosed |
| CN-1911918-A | Kappa-opioid receptor agonist composed of 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO LTD (JP) | 2007-02-14 | — | — | CN | disclosed |
| US-7112598-B2 | κ opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2006-09-26 | — | — | US | disclosed |
| US-20060205796-A1 | Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2006-09-14 | — | — | US | disclosed |
| CN-1642929-A | Kappa-opioid receptor agonists containing 2-phenylbenzothiazoline derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 2005-07-20 | — | — | CN | disclosed |
| US-20050113430-A1 | Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD (JP) | 2005-05-26 | — | — | US | disclosed |
| EP-1496053-A1 | KAPPA-OPIOID RECEPTOR AGONIST COMPRISING 2-PHENYLBENZOTHIAZOLINE DERIVATIVE | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2005-01-12 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090074715-A1 | Compounds for the Treatment of Hepatitis C | HAVCR2, HCCS, SLC10A1 | GAA 267/4885CHRM2 4424/4885CHRM4 4386/4885 |
| US-20050113430-A1 | Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | OPRK1, OPRD1, OPRL1 | GAA 3499/4885CHRM2 384/4885CHRM4 359/4885 |
| US-20060205796-A1 | Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative | OPRL1, OPRK1, OPRD1 | GAA 2194/4885CHRM2 538/4885CHRM4 554/4885 |
| US-20090275561-A1 | Compounds for the Treatment of Hepatitis C | HAVCR2, HCCS, SLC10A1 | GAA 267/4885CHRM2 4424/4885CHRM4 4386/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.