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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.39 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
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 SCHEMBL27521709 | 1.00 | SLC7A5 (0.42) | SLC7A5CYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL8173917 | 0.99 | SLC7A5 (0.43) | SLC7A5CYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL6216759 | 0.83 | SLC7A5 (0.41) | SLC7A5CYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL6216755 | 0.83 | SLC7A5 (0.41) | SLC7A5CYP3A4ADRB2ADRB1ADRB3 | |
| SCHEMBL24715542 | 0.83 | CYP3A4 (0.49) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27546188 | 0.82 | SLC7A5 (0.59) | SLC7A5ALDH1A1TSHRMAPTRAB9A | |
| Hydrochloric Acid SCHEMBL4976137 | 0.82 | SLC7A5 (0.59) | SLC7A5ALDH1A1TSHRMAPTRAB9A | |
| SCHEMBL4981307 | 0.80 | SLC7A5 (0.44) | SLC7A5ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL27546125 | 0.80 | SLC7A5 (0.44) | SLC7A5ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL4981310 | 0.78 | PPARA (0.49) | SLC7A5ADRB2ADRB1ADRB3RAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080027060-A1 | DIPEPTIDE NITRILES | ALTMANN EVA | 2008-01-31 | — | — | US | disclosed |
| US-20060235220-A1 | Dipeptide nitriles | MISSBACH MARTIN | 2006-10-19 | — | — | US | disclosed |
| CN-1273444-C | Dipeptide nitriles | NOVARTIS AG (CH) | 2006-09-06 | — | — | CN | disclosed |
| US-20040110806-A1 | Dipeptide derivatives | ALTMANN EVA (CH) | 2004-06-10 | — | — | US | disclosed |
| US-20040029814-A1 | Dipeptide nitriles | ALTMANN EVA (CH) | 2004-02-12 | — | — | US | disclosed |
| US-6353017-B1 | INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS | NOVARTIS AG (CH) | 2002-03-05 | — | — | US | disclosed |
| CN-1278244-A | Dipeptide nitriles | NOVARTIS AG (CH) | 2000-12-27 | — | — | CN | 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 (4 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-20040110806-A1 | Dipeptide derivatives | CTSL, CTSZ, CTSS | ADRB2 4116/4885ADRB1 2890/4885ADRB3 3429/4885 |
| US-20040029814-A1 | Dipeptide nitriles | NOS1, CTSL, CTSS | ADRB2 3285/4885ADRB1 1963/4885ADRB3 2563/4885 |
| US-20060235220-A1 | Dipeptide nitriles | CTSL, CTSS, CTSB | ADRB2 3888/4885ADRB1 2493/4885ADRB3 2922/4885 |
| US-20080027060-A1 | DIPEPTIDE NITRILES | CTSL, CTSS, CTSB | ADRB2 3888/4885ADRB1 2493/4885ADRB3 2922/4885 |
“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.