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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5612633 | 0.67 | GPR84 (0.39) | ALDH1A1LMNAMAPTKDM4EPKM | |
| SCHEMBL30721382 | 0.66 | HRH1 (0.39) | ALDH1A1LMNAMAPTPKMHRH2 | |
| Guanidine SCHEMBL811270 | 0.66 | CYP2D6 (0.61) | CYP2D6MAPK1ALDH1A1LMNAMAPT | |
| SCHEMBL16429380 | 0.65 | KMT2A (0.44) | MAPK1ALDH1A1MAPTKDM4EHTT | |
| Thiourea SCHEMBL1577311 | 0.64 | CYP2D6 (0.58) | CYP2D6MAPK1ALDH1A1LMNAMAPT | |
| Nitric Acid SCHEMBL2801346 | 0.63 | ALDH1A1 (0.50) | CYP2D6MAPK1ALDH1A1LMNAMAPT | |
| SCHEMBL11691939 | 0.63 | ALDH1A1 (0.56) | CYP2D6MAPK1ALDH1A1LMNAMAPT | |
| Propane SCHEMBL3563886 | 0.63 | GAA (0.54) | CYP2D6MAPK1ALDH1A1LMNAMAPT | |
| Propane SCHEMBL28408609 | 0.63 | GAA (0.54) | CYP2D6MAPK1ALDH1A1LMNAMAPT | |
| SCHEMBL8529384 | 0.62 | PKM (0.34) | ALDH1A1LMNAMAPTPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087963-A1 | INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | Chiron Corporation (US) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065897-A1 | INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | CHIRON CORPORATION (US) | 1999-12-23 | — | — | WO | disclosed |