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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 3/20 | 0.57 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.57 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.57 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8037732 | 0.89 | HTR1D (0.49) | HTR1DHTR1AHTR2CHTR2ATHRB | |
| Hydrochloric Acid SCHEMBL7148563 | 0.87 | SMN1; SMN2 (0.56) | HTR1DHTR1AHTR2CTAAR1HTR2A | |
| SCHEMBL1103824 | 0.85 | SMN1; SMN2 (0.58) | HTR1DHTR1AHTR2CTAAR1HTR2A | |
| SCHEMBL19627153 | 0.81 | THRB (0.50) | HTR1DHTR1AHTR2CTHRBALDH1A1 | |
| SCHEMBL19627152 | 0.81 | THRB (0.47) | HTR1DHTR1AHTR2CTHRBALDH1A1 | |
| Hydrochloric Acid SCHEMBL20545631 | 0.80 | MTNR1A (0.60) | HTR1DHTR1AHTR2CTAAR1HTR2A | |
| Hydrochloric Acid SCHEMBL29669731 | 0.80 | MTNR1A (0.60) | HTR1DHTR1AHTR2CTAAR1HTR2A | |
| SCHEMBL11582560 | 0.79 | ALDH1A1 (0.55) | THRBALDH1A1TSHRCA12CA1 | |
| SCHEMBL8950172 | 0.78 | HTR1A (0.59) | HTR1DHTR1AHTR2CTAAR1HTR2A | |
| SCHEMBL2227476 | 0.78 | HTR1A (0.59) | HTR1DHTR1AHTR2CTAAR1MTNR1B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140934-B1 | BENZISOXAZOLES AND PHENONES AS ALPHA-2-ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2003-10-08 | — | — | EP | disclosed |
| US-6576640-B1 | Rapidly penetration into central nervous system; treating noradrenaline deficiency; depression, Parkinson's disease | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-06-10 | — | — | US | disclosed |
| EP-1119571-B1 | TRICYCLIC DELTA3-PIPERIDINES AS ALPHA2-ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-19 | — | — | EP | disclosed |
| US-6495555-B1 | CENTRAL ALPHA2-ADRENOCEPTOR ANTAGONISTS; DEPRESSION; PARKINSON'S DISEASE | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-12-17 | — | — | US | disclosed |
| EP-1140934-A1 | BENZISOXAZOLES AND PHENONES AS $g(a) 2?-ANTAGONISTS | Janssen Pharmaceutica N.V. (BE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037466-A1 | BENZISOXAZOLES AND PHENONES AS α2-ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-06-29 | — | — | WO | disclosed |