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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.36 |
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.33 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.33 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.33 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.32 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 7/20 | 0.41 |
| ▸ | LOX | P28300 | 2/20 | 0.41 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3712918 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1585972 | 0.92 | LOXL2 (0.45) | LOXL2LOXLOXL3MAOBPNMT | |
| SCHEMBL27356274 | 0.75 | HRH3 (0.58) | LOXL2LOXLOXL3MAOBADRB2 | |
| Hydrochloric Acid SCHEMBL20295318 | 0.74 | LOXL2 (0.41) | LOXL2LOXLOXL3MAOBGABRA1 | |
| SCHEMBL25939888 | 0.73 | CYP2A6 (0.44) | HRH3 | |
| Hydrochloric Acid SCHEMBL3346503 | 0.73 | GAA (0.48) | LOXL2LOXLOXL3 | |
| Hydrochloric Acid SCHEMBL5013501 | 0.73 | GAA (0.48) | LOXL2LOXLOXL3 | |
| Hydrochloric Acid SCHEMBL28045785 | 0.73 | GAA (0.48) | LOXL2LOXLOXL3 | |
| SCHEMBL459457 | 0.72 | — | — | |
| SCHEMBL8193956 | 0.72 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240294524-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2024-09-05 | — | — | US | disclosed |
| EP-3466929-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | MILLENNIUM PHARM INC (US) | 2023-09-06 | — | — | EP | disclosed |
| US-20230113598-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | BIOGEN IDEC MA INC. | 2023-04-13 | — | — | US | disclosed |
| US-20210070752-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | VIRACTA THERAPEUTICS, INC. | 2021-03-11 | — | — | US | disclosed |
| US-20190119268-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | SUNESIS PHARMACEUTICALS, INC. | 2019-04-25 | — | — | US | disclosed |
| EP-3466929-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2019-04-10 | — | — | EP | disclosed |
| EP-3070077-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | MILLENNIUM PHARM INC (US) | 2018-11-28 | — | — | EP | disclosed |
| US-10030016-B2 | Heterocyclic compounds useful as PDK1 inhibitors | SUNESIS PHARMACEUTICALS, INC. (US) | 2018-07-24 | — | — | US | disclosed |
| US-9546165-B2 | Heterocyclic compounds useful as PDK1 inhibitors | SUNESIS PHARMACEUTICALS, INC. (US) | 2017-01-17 | — | — | US | disclosed |
| US-20160331756-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2016-11-17 | — | — | US | disclosed |
| EP-3070077-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2016-09-21 | — | — | EP | disclosed |
| EP-2485731-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | MILLENNIUM PHARM INC (US) | 2016-05-11 | — | — | EP | disclosed |
| US-20120208819-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2012-08-16 | — | — | US | disclosed |
| EP-2485731-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044157-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | BIOGEN IDEC MA INC. (US) | 2011-04-14 | — | — | WO | 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 (7 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-20120208819-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | PDK1, PDK2, PDK3 | MAOB 4149/4885GABRA1 4025/4885GABRB2 3312/4885 |
| US-20240294524-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | PDK1, PDK2, PDK3 | MAOB 4149/4885GABRA1 4025/4885GABRB2 3312/4885 |
| US-20210070752-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | PDK1, PDK2, PDK3 | MAOB 4149/4885GABRA1 4025/4885GABRB2 3312/4885 |
| US-10030016-B2 | Heterocyclic compounds useful as PDK1 inhibitors | PDK1, PDK2, PDK3 | MAOB 4149/4885GABRA1 4025/4885GABRB2 3312/4885 |
| US-20160331756-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | PDK1, PDK2, PDK3 | MAOB 4149/4885GABRA1 4025/4885GABRB2 3312/4885 |
| US-20190119268-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | PDK1, PDK2, PDK3 | MAOB 4149/4885GABRA1 4025/4885GABRB2 3312/4885 |
| US-20230113598-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | PDK1, PDK2, PDK3 | MAOB 4149/4885GABRA1 4025/4885GABRB2 3312/4885 |
“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.