Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1437604 | 0.82 | GLA (0.51) | GLACYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL31504465 | 0.82 | ALDH1A1 (0.50) | GLACYP2D6CYP1A2CYP3A4CYP2C19 | |
| Propionitrile SCHEMBL28654588 | 0.82 | GLA (0.51) | GLACYP2D6CYP1A2CYP3A4CYP2C19 | |
| Isobutanol SCHEMBL28032479 | 0.80 | ALDH1A1 (0.47) | CYP2D6CYP1A2CYP3A4CYP2C19ALOX15 | |
| Acetonitrile SCHEMBL318491 | 0.80 | ALDH1A1 (0.52) | GLACYP2D6CYP1A2CYP3A4CYP2C19 | |
| Acetonitrile SCHEMBL17474635 | 0.80 | ALDH1A1 (0.52) | GLACYP2D6CYP1A2CYP3A4CYP2C19 | |
| Acetonitrile SCHEMBL29256909 | 0.80 | ALDH1A1 (0.52) | GLACYP2D6CYP1A2CYP3A4CYP2C19 | |
| Water SCHEMBL1160667 | 0.80 | GAA (0.59) | CYP2D6CYP3A4CYP2C19ALDH1A1MAPT | |
| Water SCHEMBL214962 | 0.80 | GAA (0.59) | CYP2D6CYP3A4CYP2C19ALDH1A1MAPT | |
| Water SCHEMBL31139173 | 0.80 | GAA (0.59) | CYP2D6CYP3A4CYP2C19ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3877381-A1 | BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | Lynk Pharmaceuticals Co. Ltd. (CN) | 2021-09-15 | — | — | EP | disclosed |
| EP-3856742-A1 | TRICYCLIC JANUS KINASE 1 INHIBITORS, AND COMPOSITIONS AND METHODS THEREOF | Lynk Pharmaceuticals Co. Ltd. (CN) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020119819-A1 | BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | LYNK PHARMACEUTICALS CO. LTD. (CN) | 2020-06-18 | — | — | WO | disclosed |