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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.70 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.57 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.54 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.54 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.54 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.57 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.57 |
| ▸ | KHK | P50053 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CCR2 | P41597 | 1/20 | 0.54 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
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 SCHEMBL6289818 | 1.00 | KCNJ1 (0.70) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| SCHEMBL626660 | 0.98 | KCNJ1 (0.72) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| Bromide SCHEMBL9067030 | 0.97 | KCNJ1 (0.70) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| SCHEMBL5334337 | 0.97 | KCNJ1 (0.70) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| SCHEMBL9621043 | 0.92 | CXCR4 (0.67) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| SCHEMBL17805273 | 0.91 | KCNJ1 (0.68) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| SCHEMBL7752079 | 0.90 | CXCR4 (0.72) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| SCHEMBL4021524 | 0.88 | CXCR4 (0.65) | KCNJ1KCNH2KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL286767 | 0.84 | KCNJ1 (0.97) | KCNJ1KCNH2KDM4EALDH1A1MAPT | |
| SCHEMBL2235038 | 0.84 | KCNH2 (0.62) | KCNJ1KCNH2KDM4EALDH1A1LMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7576086-B2 | N1-benzyl-N4-(phenylpropane-2-yl-3-ol)piperazine; triple action on hydroxytryptamine (5-HT), noradrenalin (NA)and dopamine(DA); on brain synapses; cytochrome P-450 monooxygenase enzyme system antagonists; enzyme inhibitors; side effect reduction | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2009-08-18 | — | — | US | disclosed |
| US-7332495-B2 | Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent | NHWA PHARMA. CORPORATION (CN) | 2008-02-19 | — | — | US | disclosed |
| US-7166615-B2 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-23 | — | — | US | disclosed |
| US-7160901-B2 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-09 | — | — | US | disclosed |
| US-20060148811-A1 | Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2006-07-06 | — | — | US | disclosed |
| US-20050267121-A1 | Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2005-12-01 | — | — | US | disclosed |
| US-20040044053-A1 | New substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-03-04 | — | — | US | disclosed |
| US-20040044222-A1 | New substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-03-04 | — | — | US | disclosed |
| US-6638965-B2 | Antitumor agents | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-10-28 | — | — | US | disclosed |
| EP-1341760-A1 | SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2003-09-10 | — | — | EP | disclosed |
| US-20030069299-A1 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-04-10 | — | — | US | disclosed |
| WO-2002036564-A1 | SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-05-10 | — | — | WO | 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 (5 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-20060148811-A1 | Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent | AAK1, KCNJ1, KHK | KCNH2 43/4885ADRB1 376/4885SIGMAR1 286/4885 |
| US-20050267121-A1 | Aralkyl-alcohol peiperazine derivatives adn their uses as antidepressant | AANAT, GAP43, TPH2 | KCNH2 829/4885ADRB1 145/4885SIGMAR1 805/4885 |
| US-20040044053-A1 | New substituted indolinones, preparation thereof and their use as pharmaceutical compositions | CCNI, MKI67, CSNK1A1 | KCNH2 3147/4885ADRB1 370/4885SIGMAR1 1330/4885 |
| US-20040044222-A1 | New substituted indolinones, preparation thereof and their use as pharmaceutical compositions | CCNI, MKI67, CSNK1A1 | KCNH2 3147/4885ADRB1 370/4885SIGMAR1 1330/4885 |
| US-20030069299-A1 | Substituted indolinones, preparation thereof and their use as pharmaceutical compositions | CCNI, CSNK1A1, MKI67 | KCNH2 1582/4885ADRB1 302/4885SIGMAR1 1815/4885 |
“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.