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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.64 |
| ▸ | HRH1 known ✓ | P35367 | 4/20 | 0.64 |
| ▸ | SLC6A4 known ✓ | P31645 | 11/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 5/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.46 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.46 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.46 |
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.46 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.46 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.46 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 4/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9947539 | 0.98 | HTR2A (0.67) | HTR2AHRH1SLC6A4SLC6A2PMP22 | |
| Acrylic Acid SCHEMBL28964999 | 0.84 | HTR2A (0.50) | HTR2AHRH1SLC6A4SLC6A2PMP22 | |
| Hydrochloric Acid SCHEMBL5223012 | 0.81 | HTR2A (0.95) | HTR2AHRH1SLC6A4SLC6A2PMP22 | |
| Hydrochloric Acid SCHEMBL27743404 | 0.79 | TAAR1 (0.61) | HTR2AHRH1SLC6A4SLC6A2TAAR1 | |
| SCHEMBL3638413 | 0.79 | HTR2A (1.00) | HTR2AHRH1SLC6A4SLC6A2PMP22 | |
| SCHEMBL22042229 | 0.78 | TSHR (0.55) | HTR2AHRH1TAAR1TSHR | |
| SCHEMBL28032199 | 0.77 | TAAR1 (0.57) | HTR2AHRH1SLC6A4SLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL3830551 | 0.76 | HTR2A (0.64) | HTR2AHRH1SLC6A4SLC6A2PMP22 | |
| SCHEMBL19905186 | 0.75 | HTR2A (0.69) | HTR2AHRH1SLC6A4SLC6A2PMP22 | |
| SCHEMBL2471404 | 0.75 | HTR2A (0.69) | HTR2AHRH1SLC6A4SLC6A2PMP22 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3645528-A1 | COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-05-06 | — | — | EP | disclosed |
| US-20200123115-A1 | COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-04-23 | — | — | US | disclosed |
| WO-2020021015-A1 | NEW IMIDAZOPYRIDINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |
| WO-2019002173-A1 | COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-01-03 | — | — | WO | disclosed |
| US-7863305-B2 | 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors | ROCHE PALO ALTO LLC (US) | 2011-01-04 | — | — | US | disclosed |
| EP-1756054-B1 | 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR | HOFFMANN LA ROCHE (CH) | 2010-03-31 | — | — | EP | disclosed |
| EP-1756054-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR | F.HOFFMANN-LA ROCHE AG (CH) | 2007-02-28 | — | — | EP | disclosed |
| EP-1414802-B1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2006-04-26 | — | — | EP | disclosed |
| US-20060025467-A1 | 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors | ROCHE PALO ALTO LLC | 2006-02-02 | — | — | US | disclosed |
| WO-2005118539-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-15 | — | — | WO | disclosed |
| US-6953797-B2 | Use of phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2005-10-11 | — | — | US | disclosed |
| US-20040176422-A1 | Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase | ASTRAZENECA AB (SE) | 2004-09-09 | — | — | US | disclosed |
| EP-1414802-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | AstraZeneca AB (SE) | 2004-05-06 | — | — | EP | disclosed |
| EP-1263718-B1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030073685-A1 | Novel use of phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2003-04-17 | — | — | US | disclosed |
| WO-2003011830-A1 | HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2003-02-13 | — | — | WO | disclosed |
| EP-1263718-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062721-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | 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 (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-20030073685-A1 | Novel use of phenylheteroalkylamine derivatives | CYP1A1, CYP1A2, CYP2E1 | HTR2A 563/4885HRH1 172/4885SLC6A4 1977/4885 |
| US-20040176422-A1 | Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase | NOS3, NOS1, NOS2 | HTR2A 439/4885HRH1 349/4885SLC6A4 1799/4885 |
| US-20060025467-A1 | 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors | TPH1, HTR1A, HTR3A | HTR2A 17/4885HRH1 226/4885SLC6A4 14/4885 |
| US-20200123115-A1 | COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | TRPV1, CACNG2, CACNA1B | HTR2A 396/4885HRH1 1493/4885SLC6A4 1226/4885 |
“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.