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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.52 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.52 |
| ▸ | HTR2A known ✓ | P28223 | 11/20 | 0.46 |
| ▸ | HTR7 known ✓ | P34969 | 10/20 | 0.46 |
| ▸ | KCNH2 known ✓ | Q12809 | 10/20 | 0.46 |
| ▸ | DRD2 known ✓ | P14416 | 9/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545311 | 0.99 | HTR1D (0.53) | HTR1DHTR1BHTR2AHTR7KCNH2 | |
| Hydrochloric Acid SCHEMBL8039579 | 0.82 | HTR2A (0.54) | HTR2AHTR7DRD2SLC6A4KDM4E | |
| SCHEMBL8788384 | 0.82 | CCR3 (0.44) | HTR2AHTR7KCNH2DRD2SLC6A4 | |
| Hydrochloric Acid SCHEMBL7718357 | 0.80 | HTR1D (0.52) | HTR1DHTR1BHTR2AHTR7KCNH2 | |
| SCHEMBL1545575 | 0.80 | DRD2 (0.70) | HTR2AHTR7KCNH2DRD2SLC6A4 | |
| Hydrochloric Acid SCHEMBL7726678 | 0.79 | HTR1D (0.50) | HTR1DHTR1BHTR2AHTR7KCNH2 | |
| SCHEMBL1545577 | 0.79 | HTR1D (0.53) | HTR1DHTR1BHTR2AHTR7KCNH2 | |
| SCHEMBL1545221 | 0.78 | HTR1D (0.51) | HTR1DHTR1BHTR2AHTR7KCNH2 | |
| SCHEMBL6186847 | 0.78 | HTR1D (0.54) | HTR1DHTR1BHTR2ADRD2SLC6A4 | |
| SCHEMBL1545159 | 0.78 | HTR1D (0.52) | HTR1DHTR1BHTR2AHTR7KCNH2 |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6420390-B1 | ANALGESIC AGENTS | AVENTIS PHARMACEUTICALS INC. | 2002-07-16 | — | — | US | disclosed |
| US-RE37729-E1 | 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility | AVENTIS PHARMACEUTICALS INC. | 2002-06-04 | — | — | US | disclosed |
| US-RE37478-E1 | COMPOUNDS WITH HETEROCYCLIC AMINO COMPOUNDS | AVENTIS PHARMACEUTICALS, INC. | 2001-12-18 | — | — | US | disclosed |
| US-6251907-B1 | 1-(aryloxyalkyl)-4-(heteroaryl) piperazines and related compounds useful as antipsychotics and analgesics | AVENTIS PHARMACEUTICALS INC. | 2001-06-26 | — | — | US | disclosed |
| US-6207680-B1 | FOR THERAPY OF PSYCHOLOGICAL DISORDERS AND PAIN | AVENTIS PHARMACEUTICALS INC. | 2001-03-27 | — | — | US | disclosed |
| US-RE37029-E1 | ANTIPSYCHOTIC AND ANALGESIC AGENTS | AVENTIS PHARMACEUTICALS INC. | 2001-01-23 | — | — | US | disclosed |
| US-6140345-A | FOR TREATING PSYCHOSES AND PAIN | AVENTIS PHARMACEUTICALS INC. | 2000-10-31 | — | — | US | disclosed |
| US-6110938-A | LONG ACTING EFFECTS; THERAPEUTIC TREATMENT OF SCHIZOPHRENIC PATIENTS | Hoescht Marion Roussel, Inc. (US) | 2000-08-29 | — | — | US | disclosed |
| US-6001834-A | PSYCHOLOGICAL DISORDERS, ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1999-12-14 | — | — | US | disclosed |
| US-5998417-A | PSYCHOLOGICAL DISORDERS; ANALGESICS | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| US-5569653-A | N-[(4-(heteroaryl)-1-pyrrolidinyl)alkyl]-10,11-dihydro-5H-dibenz[B,F]azepines and related compounds and their therapeutic utility | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-10-29 | — | — | US | disclosed |
| US-5561128-A | ANALGESICS; ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-10-01 | — | — | US | disclosed |
| US-5559116-A | ANALGESICS, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| US-5559117-A | ANALGESICS, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| US-5559126-A | ANALGESICS, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| US-5556858-A | ANALGESICS AND ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-09-17 | — | — | US | disclosed |
| US-5554614-A | TREATMENT OF PSYCHOLOGICAL DISORDERS, PSYCHOSES; ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-09-10 | — | — | US | disclosed |
| US-5552414-A | 1-(1H-indolyloxyalkyl)-4-(heteroaryl) piperidines and related compounds useful as antipsychotics and analgesics | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-09-03 | — | — | US | disclosed |
| US-5550130-A | ANTIPSYCHOTIC AGENTS, ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-08-27 | — | — | US | disclosed |
| WO-1995011680-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1995-05-04 | — | — | WO | disclosed |