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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 known ✓ | P28845 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 8/20 | 0.56 |
| ▸ | ATXN2 | Q99700 | 6/20 | 0.56 |
| ▸ | CCKBR | P32239 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | ADAM9 | Q13443 | 1/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20669409 | 0.80 | NPC1 (0.63) | MEN1MAPTKMT2ANPC1TDP1 | |
| SCHEMBL24176980 | 0.78 | NPC1 (0.60) | ENPP2ATXN2MEN1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL15541278 | 0.78 | ENPP2 (0.57) | ENPP2ATXN2 | |
| SCHEMBL15541091 | 0.76 | ENPP2 (0.58) | ENPP2ATXN2 | |
| Hydrochloric Acid SCHEMBL15541350 | 0.73 | ATXN2 (0.60) | ENPP2ATXN2 | |
| Hydrochloric Acid SCHEMBL17310787 | 0.73 | CHRNA4 (0.52) | ENPP2ATXN2 | |
| SCHEMBL15540715 | 0.72 | ENPP2 (0.54) | ENPP2ATXN2CNR1MEN1MAPT | |
| SCHEMBL16615993 | 0.72 | ENPP2 (0.61) | ENPP2ATXN2MEN1KMT2A | |
| SCHEMBL15540638 | 0.71 | ENPP2 (1.00) | ENPP2ATXN2 | |
| SCHEMBL15541457 | 0.70 | ENPP2 (1.00) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200207769-A1 | DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN-LA ROCHE INC. (US) | 2020-07-02 | — | — | US | disclosed |
| 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 (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-20200207769-A1 | DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | ENPP2, DAPK1, DAPK2 | HSD11B1 4203/4885ENPP2 1/4885ATXN2 500/4885 |
| US-20170029425-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | ENPP2, DAPK1, DAPK2 | HSD11B1 4153/4885ENPP2 1/4885ATXN2 280/4885 |
| US-10633384-B2 | Diazaspirocycloalkane and azaspirocycloalkane | ENPP2, DAPK1, DAPK2 | HSD11B1 4203/4885ENPP2 1/4885ATXN2 500/4885 |
| US-20150099734-A1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | DAPK2, DAPK1, IDH3A | HSD11B1 1240/4885ENPP2 548/4885ATXN2 1079/4885 |
“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.