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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | AGXT | P21549 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7286088 | 0.99 | SLC2A1 (0.63) | SLC2A1TAAR1ABCB1ADRA1AABCG2 | |
| Hydrochloric Acid SCHEMBL7292452 | 0.93 | SLC2A1 (0.60) | SLC2A1TAAR1ABCB1ADRA1AABCG2 | |
| Hydrochloric Acid SCHEMBL7292865 | 0.93 | SLC2A1 (0.60) | SLC2A1TAAR1ABCB1ADRA1AABCG2 | |
| Hydrochloric Acid SCHEMBL7292480 | 0.88 | CYP1A2 (0.52) | SLC2A1TAAR1ABCB1ADRA1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL7295516 | 0.88 | TAAR1 (0.51) | SLC2A1TAAR1IDO1 | |
| SCHEMBL9641366 | 0.87 | CYP1A2 (0.54) | SLC2A1TAAR1ABCB1ADRA1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL10383913 | 0.86 | SLC2A1 (0.53) | SLC2A1TAAR1MAOBIDO1AGXT | |
| Hydrochloric Acid SCHEMBL7272789 | 0.85 | SLC2A1 (0.56) | SLC2A1TAAR1 | |
| SCHEMBL7286476 | 0.85 | SLC2A1 (0.61) | SLC2A1TAAR1ABCB1ABCG2 | |
| Hydrochloric Acid SCHEMBL7281770 | 0.84 | TAAR1 (0.54) | SLC2A1TAAR1ADRA1AMAOBCYP1A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0292202-B1 | 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS | FISONS plc (GB) | 1992-09-02 | — | — | EP | disclosed |
| EP-0223598-B1 | CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FISONS plc (GB) | 1991-06-12 | — | — | EP | disclosed |
| US-4939147-A | Substituted 3,4-dihydroxy phenylethylamino compounds | FISONS PLC. (GB) | 1990-07-03 | — | — | US | disclosed |
| US-4922022-A | Substituted 3,4-dihydroxy phenylethylamino compounds | FISONS PLC (GB) | 1990-05-01 | — | — | US | disclosed |
| US-4883804-A | Aromatic compounds | FISONS PLC (GB) | 1989-11-28 | — | — | US | disclosed |
| EP-0314725-A1 | 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL | FISONS plc (GB) | 1989-05-10 | — | — | EP | disclosed |
| WO-1988009326-A1 | 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL | FISONS PLC (GB) | 1988-12-01 | — | — | WO | disclosed |
| EP-0292202-A1 | 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds | FISONS plc (GB) | 1988-11-23 | — | — | EP | disclosed |
| EP-0223598-A2 | Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof | FISONS plc (GB) | 1987-05-27 | — | — | EP | disclosed |