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 | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 10/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.53 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | NSD2 | O96028 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | GALK1 | P51570 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.53 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.53 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.53 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.53 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.53 |
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 SCHEMBL28125955 | 1.00 | NOTUM (0.77) | NOTUMKDM4ECYP2C19AKR1C3TFPI2 | |
| SCHEMBL1222301 | 0.98 | NOTUM (0.79) | NOTUMKDM4ECYP2C19AKR1C3TFPI2 | |
| Tert-Butylamine SCHEMBL27942390 | 0.88 | NOTUM (0.66) | NOTUMKDM4ECYP2C19AKR1C3TFPI2 | |
| SCHEMBL5798722 | 0.87 | NOTUM (0.65) | NOTUMKDM4ECYP2C19AKR1C3APAF1 | |
| SCHEMBL16695597 | 0.87 | NOTUM (1.00) | NOTUM | |
| SCHEMBL892785 | 0.87 | NOTUM (1.00) | NOTUM | |
| SCHEMBL9500414 | 0.86 | NOTUM (0.68) | NOTUMCYP2C19TFPI2MAPTKMT2A | |
| Benzene SCHEMBL28217786 | 0.85 | NOTUM (0.62) | NOTUMKDM4ECYP2C19POLBMAPT | |
| Hydrochloric Acid SCHEMBL28060567 | 0.85 | NOTUM (0.62) | NOTUMKDM4ECYP2C19POLBMAPT | |
| Hydrochloric Acid SCHEMBL3319271 | 0.84 | ITGB3 (0.59) | NOTUMKDM4ECYP2C19AKR1C3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110072860-B | Compounds useful as immunomodulators | 百时美施贵宝公司 | 2022-09-02 | — | — | CN | disclosed |
| US-10882844-B2 | Compounds useful as immunomodulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-01-05 | — | — | US | disclosed |
| US-20190352280-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-11-21 | — | — | US | disclosed |
| EP-3558970-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | Bristol-Myers Squibb Company (US) | 2019-10-30 | — | — | EP | disclosed |
| WO-2019189766-A1 | NOVEL BIARYL AMIDE DERIVATIVE | 持田製薬株式会社 | 2019-10-03 | — | — | WO | disclosed |
| CN-110072860-A | It can be used as the compound of immunomodulator | 百时美施贵宝公司 | 2019-07-30 | — | — | CN | disclosed |
| WO-2018118848-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-06-28 | — | — | WO | disclosed |
| EP-0945439-B1 | AMINOPYRAZOLE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2003-03-19 | — | — | EP | disclosed |
| US-6166038-A | Aminopyrazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-12-26 | — | — | US | disclosed |
| EP-0945439-A1 | NOVEL AMINOPYRAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | 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 (2 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-10882844-B2 | Compounds useful as immunomodulators | CD74, HLA-DRB1, CD47 | NOTUM 2124/4885KDM4E 4249/4885CYP2C19 4166/4885 |
| US-20190352280-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | CD74, HLA-DRB1, CD47 | NOTUM 2124/4885KDM4E 4249/4885CYP2C19 4166/4885 |
“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.