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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.52 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.52 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.48 |
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.42 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.42 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.42 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.42 |
| ▸ | SLC6A1 known ✓ | P30531 | 1/20 | 0.42 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.42 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.42 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.42 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.42 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL572907 | 1.00 | CYP1A2 (0.95) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL208141 | 0.98 | — | — | |
| Water SCHEMBL28807419 | 0.95 | CYP1A2 (0.95) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Hydrochloric Acid SCHEMBL3821044 | 0.93 | CYP1A2 (0.83) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Hydrochloric Acid SCHEMBL4004213 | 0.91 | CYP1A2 (0.80) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Hydrochloric Acid SCHEMBL1284223 | 0.91 | CYP1A2 (0.80) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Hydrochloric Acid SCHEMBL3959012 | 0.91 | CYP1A2 (0.80) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Hydrochloric Acid SCHEMBL10994303 | 0.91 | CYP1A2 (0.80) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Hydrochloric Acid SCHEMBL7653012 | 0.91 | CYP1A2 (0.80) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| Hydrochloric Acid SCHEMBL20501205 | 0.91 | CYP1A2 (0.80) | CYP1A2NR1I2PGRADORA3PTGS2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410087-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-04-02 | — | — | US | disclosed |
| CN-101573357-B | Indole compound | TAKAEDA CHEMICAL IND LTD | 2013-01-23 | — | — | CN | disclosed |
| EP-2508524-A2 | Indole compound | Takeda Pharmaceutical Company Limited (JP) | 2012-10-10 | — | — | EP | disclosed |
| US-7777047-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-17 | — | — | US | disclosed |
| US-20100144702-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-10 | — | — | US | disclosed |
| US-20100137610-A1 | Indole compound | YASUMA TSUNEO | 2010-06-03 | — | — | US | disclosed |
| US-7718798-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-18 | — | — | US | disclosed |
| US-7652133-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20090286975-A1 | Indole compound | YASUMA TSUNEO | 2009-11-19 | — | — | US | disclosed |
| CN-101573357-A | Indole compound | TAKEDA PHARMACEUTICAL (JP) | 2009-11-04 | — | — | CN | disclosed |
| EP-2074119-A1 | INDOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008050821-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |
| US-20080096877-A1 | Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-04-24 | — | — | US | 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-20100144702-A1 | INDOLE COMPOUND | GCKR, GPR119, SLC5A1 | PTGS2 1889/4885PDE4D 1707/4885GAA 598/4885 |
| US-20100137610-A1 | Indole compound | GCKR, GPR119, SLC5A1 | PTGS2 1889/4885PDE4D 1707/4885GAA 598/4885 |
| US-20090286975-A1 | Indole compound | GCKR, GPR119, SLC5A1 | PTGS2 1889/4885PDE4D 1707/4885GAA 598/4885 |
| US-20080096877-A1 | Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example | GCKR, GCK, KHK | PTGS2 1298/4885PDE4D 2293/4885GAA 723/4885 |
“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.