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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET known ✓ | P08581 | 4/20 | 0.42 |
| ▸ | JAK2 known ✓ | O60674 | 8/20 | 0.38 |
| ▸ | JAK1 known ✓ | P23458 | 6/20 | 0.38 |
| ▸ | ALK known ✓ | Q9UM73 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 6/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 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 SCHEMBL16593449 | 1.00 | MET (0.42) | METLRRK2MKNK1JAK2JAK1 | |
| SCHEMBL1422774 | 0.98 | MET (0.41) | METLRRK2MKNK1JAK2JAK1 | |
| SCHEMBL10191777 | 0.89 | IRAK4 (0.38) | METLRRK2MKNK1JAK2JAK1 | |
| SCHEMBL12598741 | 0.88 | LRRK2 (0.40) | METLRRK2MKNK1JAK2JAK1 | |
| SCHEMBL1703399 | 0.88 | LRRK2 (0.40) | METLRRK2MKNK1JAK2JAK1 | |
| SCHEMBL1703270 | 0.88 | LRRK2 (0.40) | METLRRK2MKNK1JAK2JAK1 | |
| Hydrochloric Acid SCHEMBL25243994 | 0.87 | PIK3CD (0.41) | KDM5AMPO | |
| Hydrochloric Acid SCHEMBL31507950 | 0.87 | PIK3CD (0.41) | KDM5AMPO | |
| SCHEMBL173506 | 0.85 | — | — | |
| SCHEMBL30426320 | 0.83 | IRAK4 (0.41) | JAK1IRAK4KDM5A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3134091-A1 | IRAK INHIBITORS AND USES THEREOF | Nimbus Iris, Inc. (US) | 2017-03-01 | — | — | EP | disclosed |
| US-20170035766-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS INC (US) | 2017-02-09 | — | — | US | disclosed |
| US-9518065-B2 | IRAK inhibitors and uses thereof | NIMBUS IRIS, INC. (US) | 2016-12-13 | — | — | US | disclosed |
| EP-3049086-A1 | IRAK INHIBITORS AND USES THEREOF | Nimbus Iris, Inc. (US) | 2016-08-03 | — | — | EP | disclosed |
| US-20150329498-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. | 2015-11-19 | — | — | US | disclosed |
| EP-2943202-A1 | IRAK INHIBITORS AND USES THEREOF | Nimbus Iris, Inc. (US) | 2015-11-18 | — | — | EP | disclosed |
| WO-2015164374-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2015-10-29 | — | — | WO | disclosed |
| WO-2015048281-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |
| US-20150094305-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. | 2015-04-02 | — | — | US | disclosed |
| WO-2014194242-A2 | FLT3 INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2014-12-04 | — | — | WO | disclosed |
| WO-2014110114-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2014-07-17 | — | — | 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 (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-20150329498-A1 | IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | MET 4257/4885JAK2 99/4885JAK1 103/4885 |
| US-20170035766-A1 | IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | MET 2237/4885JAK2 46/4885JAK1 53/4885 |
| US-20150094305-A1 | IRAK INHIBITORS AND USES THEREOF | IRAK2, IRAK3, IRAK1 | MET 2237/4885JAK2 46/4885JAK1 53/4885 |
“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.