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 | |
|---|---|---|---|---|
| ▸ | BCHE known ✓ | P06276 | 2/20 | 0.33 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | TLR3 | O15455 | 1/20 | 0.31 |
| ▸ | TLR5 | O60602 | 1/20 | 0.31 |
| ▸ | TLR2 | O60603 | 1/20 | 0.31 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.31 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.31 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.31 |
| ▸ | CAMK1 | Q14012 | 1/20 | 0.31 |
| ▸ | CAMK4 | Q16566 | 1/20 | 0.31 |
| ▸ | PNCK | Q6P2M8 | 1/20 | 0.31 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.31 |
| ▸ | CAMK1G | Q96NX5 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.31 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.31 |
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 SCHEMBL7513256 | 1.00 | BCHE (0.33) | BCHETLR4TLR3TLR5TLR2 | |
| SCHEMBL1717405 | 0.99 | BCHE (0.33) | BCHEEZH2HTR2CSLC6A4 | |
| SCHEMBL12632563 | 0.99 | BCHE (0.33) | BCHEEZH2HTR2CSLC6A4 | |
| SCHEMBL1389062 | 0.99 | BCHE (0.33) | BCHEEZH2HTR2CSLC6A4 | |
| SCHEMBL7514355 | 0.99 | BCHE (0.33) | BCHEEZH2HTR2CSLC6A4 | |
| SCHEMBL1388984 | 0.99 | BCHE (0.33) | BCHEEZH2HTR2CSLC6A4 | |
| SCHEMBL7525881 | 0.98 | BCHE (0.32) | BCHETLR4TLR3TLR5TLR2 | |
| SCHEMBL7525880 | 0.98 | BCHE (0.32) | BCHETLR4TLR3TLR5TLR2 | |
| SCHEMBL7526409 | 0.95 | PTGER1 (0.31) | — | |
| SCHEMBL7526413 | 0.95 | PTGER1 (0.31) | — |
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-0866701-B1 | SYNERGISTIC IMMUNOSUPPRESSANT COMPOSITION CONTAINING A 2,2'-BI-1H-PYRROLE COMPOUND | PHARMACIA & UPJOHN SPA (IT) | 2002-01-16 | — | — | EP | disclosed |
| US-6291509-B1 | Synergistic immunosuppressant composition containing a 2,2'-bi-1H-pyrrole compound | PHARMACIA & UPJOHN SPA (IT) | 2001-09-18 | — | — | US | disclosed |
| EP-0975338-A2 | 2,2'-BI-1H-PYRROLE DERIVATIVES USEFUL IN THE TREATMENT OF LEUKEMIA BROUGHT ON BY HTLV-I | PHARMACIA & UPJOHN S.p.A. (IT) | 2000-02-02 | — | — | EP | disclosed |
| WO-1999029309-A2 | 2,2'-BI-1H-PYRROLE DERIVATIVES USEFUL IN THE TREATMENT OF LEUKEMIA BROUGHT ON BY HTLV-I | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-06-17 | — | — | WO | disclosed |
| EP-0866701-A1 | SYNERGISTIC IMMUNOSUPPRESSANT COMPOSITION CONTAINING A 2,2'-BI-1H-PYRROLE COMPOUND | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-09-30 | — | — | EP | disclosed |
| WO-1998011894-A1 | SYNERGISTIC IMMUNOSUPPRESSANT COMPOSITION CONTAINING A 2,2'-BI-1H-PYRROLE COMPOUND | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-03-26 | — | — | WO | disclosed |