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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.44 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 known ✓ | Q99500 | 1/20 | 0.40 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 3/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | CTSC | P53634 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CTSH | P09668 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
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 SCHEMBL5262184 | 1.00 | MME (0.51) | MMEITGB1ITGA4FFAR1AKR1B1 | |
| SCHEMBL7177998 | 0.99 | MME (0.52) | MMEITGB1ITGA4FFAR1AKR1B1 | |
| Trifluoroacetic Acid SCHEMBL5860720 | 0.92 | PTPN1 (0.51) | MMEITGB1ITGA4FFAR1AKR1B1 | |
| Hydrochloric Acid SCHEMBL6640011 | 0.89 | MME (0.45) | MMEITGB1ITGA4FFAR1AKR1B1 | |
| SCHEMBL5164414 | 0.83 | SLC7A5 (0.57) | MMEITGB1ITGA4FFAR1AKR1B1 | |
| SCHEMBL5164419 | 0.83 | SLC7A5 (0.57) | MMEITGB1ITGA4FFAR1AKR1B1 | |
| Hydrochloric Acid SCHEMBL5263529 | 0.81 | PPARG (0.54) | MMEITGB1ITGA4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5263533 | 0.81 | PPARG (0.54) | MMEITGB1ITGA4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL539308 | 0.81 | DPP4 (0.52) | DPP8CTSCCYP1A2CYP3A4CTSH | |
| SCHEMBL3995465 | 0.81 | TPH1 (0.47) | ITGB1ITGA4ESR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070238763-A1 | Urea derivatives as integrin a4 antagonists | LABORATORIOS ALMIRALL, S.A. | 2007-10-11 | — | — | US | disclosed |
| EP-1383750-B1 | UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS | ALMIRALL LAB (ES) | 2007-09-26 | — | — | EP | disclosed |
| US-7253171-B2 | Urea derivatives as integrin α4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2007-08-07 | — | — | US | disclosed |
| US-20040142982-A1 | Urea derivatives as integrin alpha 4 antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2004-07-22 | — | — | US | disclosed |
| US-6579889-B2 | Alzheier's diseases; antiallergens; vision defects; antihistamines; skin disorders | MERCK & CO., INC. | 2003-06-17 | — | — | US | disclosed |
| US-20020019419-A1 | Substituted isonipecotyl derivatives as inhibitors of cell adhesion | MERCK & CO., INC. | 2002-02-14 | — | — | US | 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 (3 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-20040142982-A1 | Urea derivatives as integrin alpha 4 antagonists | ITGA4, ITGB4, ITGA1 | ESR2 761/4885S1PR1 3143/4885S1PR3 3180/4885 |
| US-20020019419-A1 | Substituted isonipecotyl derivatives as inhibitors of cell adhesion | VCAM1, ICAM1, CD4 | ESR2 1422/4885S1PR1 1163/4885S1PR3 1331/4885 |
| US-20070238763-A1 | Urea derivatives as integrin a4 antagonists | ITGB4, ITGA4, ITGB7 | ESR2 2047/4885S1PR1 4220/4885S1PR3 3949/4885 |
“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.