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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.46 |
| ▸ | ROCK1 known ✓ | Q13464 | 4/20 | 0.44 |
| ▸ | ROCK2 known ✓ | O75116 | 3/20 | 0.44 |
| ▸ | MAOA known ✓ | P21397 | 3/20 | 0.44 |
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.44 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.43 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.42 |
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.42 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.46 |
| ▸ | CCR2 | P41597 | 2/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6321898 | 0.99 | PARP1 (0.47) | PARP1CHEK2ROCK1ROCK2MAOA | |
| SCHEMBL6321161 | 0.92 | PARP1 (0.48) | PARP1HRH3MAPKAPK2GAACHRM2 | |
| SCHEMBL6315199 | 0.86 | HRH3 (0.56) | HRH3MAPKAPK2GAACHRM2CHRM4 | |
| SCHEMBL6315047 | 0.81 | GAA (0.46) | HRH3MAPKAPK2GAACHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL6316093 | 0.80 | PARP1 (0.47) | PARP1MAOAMAOBMAPKAPK2ACHE | |
| SCHEMBL6317111 | 0.79 | KDM4E (0.52) | MAOAMAOBACHEBCHEKDM4E | |
| SCHEMBL6314840 | 0.79 | KDM4E (0.48) | MAOAMAOBACHEBCHEKDM4E | |
| SCHEMBL6316010 | 0.79 | PARP1 (0.48) | PARP1MAOAMAOBMAPKAPK2ACHE | |
| SCHEMBL6322012 | 0.78 | LTA4H (0.48) | MAOAMAOBACHEBCHEKDM4E | |
| SCHEMBL6316336 | 0.78 | LTA4H (0.48) | MAOAMAOBACHEBCHEKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377549-A1 | FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR | Millennium Pharmaceuticals, Inc. (US) | 2004-01-07 | — | — | EP | disclosed |
| US-20030064991-A1 | Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor | MILLENNIUM PHARMACEUTICALS, INC. | 2003-04-03 | — | — | US | disclosed |
| WO-2002072549-A1 | FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-09-19 | — | — | 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 (1 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-20030064991-A1 | Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor | ACKR3, CCR5, CXCR4 | PARP1 3510/4885ROCK1 727/4885ROCK2 1979/4885 |
“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.