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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | ACR | P10323 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8650343 | 0.85 | MTNR1A (0.41) | MTNR1AMTNR1B | |
| SCHEMBL8788554 | 0.82 | PSMD10 (0.41) | CA2KIF11MTNR1AMTNR1BHRH3 | |
| SCHEMBL14155053 | 0.71 | CA2 (0.49) | CA2MTNR1AMTNR1B | |
| SCHEMBL8788477 | 0.68 | MTNR1A (0.38) | KIF11MTNR1AMTNR1BHRH3 | |
| 1,3-Propanediol SCHEMBL815140 | 0.68 | ALDH1A1 (0.50) | CA2MAPT | |
| 1,4-Butanediol SCHEMBL8461121 | 0.68 | ALDH1A1 (0.50) | CA2MAPT | |
| 1,3-Propanediol SCHEMBL3302630 | 0.68 | ALDH1A1 (0.50) | CA2MAPT | |
| SCHEMBL23612316 | 0.67 | CYP2A6 (0.41) | MTNR1AMTNR1B | |
| 1,5-Pentanediol SCHEMBL28493250 | 0.66 | ALDH1A1 (0.48) | CA2MAPT | |
| 1,6-Hexanediol SCHEMBL28498786 | 0.66 | ALDH1A1 (0.48) | CA2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5763444-A | CENTRAL NERVOUS SYSTEM AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0761666-A2 | Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-03-12 | — | — | EP | disclosed |