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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP10 | P09238 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7683420 | 0.92 | TTK (0.46) | CYP2C19CYP2D6HTTPOLBTTK | |
| SCHEMBL7744605 | 0.89 | POLB (0.53) | CYP2C19CYP2D6MAPK1HTTPOLB | |
| SCHEMBL7750039 | 0.88 | CYP2C19 (0.43) | CYP2C19CYP2D6MAPK1HTTPOLB | |
| Water SCHEMBL7751917 | 0.87 | CYP2C19 (0.42) | CYP2C19CYP2D6MAPK1HTTPOLB | |
| SCHEMBL7679119 | 0.86 | CYP2C19 (0.41) | CYP2C19CYP2D6MAPK1HTTPOLB | |
| Water SCHEMBL7750392 | 0.85 | CYP2C19 (0.41) | CYP2C19CYP2D6MAPK1HTTPOLB | |
| SCHEMBL8367974 | 0.84 | HTT (0.48) | CYP2C19HTTPOLBTTKHDAC3 | |
| SCHEMBL8368904 | 0.84 | KMT2A (0.44) | CYP2C19CYP2D6MAPK1POLBHDAC3 | |
| SCHEMBL8368922 | 0.84 | SSTR4 (0.42) | CYP2C19POLBHDAC3HDAC1HDAC2 | |
| SCHEMBL6470097 | 0.84 | POLB (0.42) | CYP2C19CYP2D6MAPK1HTTPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517708-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2005-03-30 | — | — | EP | claimed |
| WO-2004000355-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2003-12-31 | — | — | WO | claimed |
| EP-1517708-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000355-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2003-12-31 | — | — | WO | disclosed |