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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.43 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.43 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | NAMPT | P43490 | 7/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | ATXN2 | Q99700 | 2/20 | 0.48 |
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 SCHEMBL15551300 | 0.88 | ENPP2 (0.47) | ENPP2ATXN2GABRDGABRA1GABRB1 | |
| Trifluoroacetic Acid SCHEMBL16616166 | 0.87 | NAMPT (0.49) | L3MBTL3L3MBTL1NAMPTKDM1AENPP2 | |
| SCHEMBL18421944 | 0.87 | ENPP2 (0.47) | ENPP2ATXN2GABRDGABRA1GABRB1 | |
| SCHEMBL18315513 | 0.84 | ENPP2 (0.54) | ENPP2ATXN2 | |
| SCHEMBL18315573 | 0.82 | ENPP2 (0.51) | ENPP2ATXN2 | |
| SCHEMBL18315519 | 0.82 | ENPP2 (0.54) | ENPP2ATXN2 | |
| SCHEMBL18315562 | 0.82 | ENPP2 (0.51) | ENPP2ATXN2 | |
| SCHEMBL18315520 | 0.82 | ENPP2 (0.54) | ENPP2ATXN2 | |
| SCHEMBL18315524 | 0.81 | ENPP2 (0.51) | ENPP2ATXN2 | |
| SCHEMBL18315578 | 0.81 | ENPP2 (0.51) | ENPP2ATXN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10633384-B2 | Diazaspirocycloalkane and azaspirocycloalkane | HOFFMANN-LA ROCHE INC. (US) | 2020-04-28 | — | — | US | disclosed |
| US-20170029425-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN-LA ROCHE INC. (US) | 2017-02-02 | — | — | US | disclosed |
| EP-2861566-B1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN LA ROCHE (CH) | 2016-12-21 | — | — | EP | disclosed |
| US-9493486-B2 | Diazaspirocycloalkane and azaspirocycloalkane | HOFFMANN-LA ROCHES INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20150099734-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN-LA ROCHE INC. (US) | 2015-04-09 | — | — | 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-20170029425-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | ENPP2, DAPK1, DAPK2 | GABRD 3268/4885GABRA1 2604/4885GABRB1 2744/4885 |
| US-10633384-B2 | Diazaspirocycloalkane and azaspirocycloalkane | ENPP2, DAPK1, DAPK2 | GABRD 3000/4885GABRA1 2269/4885GABRB1 2418/4885 |
| US-20150099734-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | DAPK2, DAPK1, IDH3A | GABRD 1259/4885GABRA1 475/4885GABRB1 555/4885 |
“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.