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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6963783 | 0.98 | CYP2D6 (0.50) | ALDH1A1TSHRCYP3A4CYP2D6ADORA3 | |
| Cyclohexane SCHEMBL27563472 | 0.85 | GAA (0.54) | ALDH1A1TSHRCYP3A4CYP2D6GAA | |
| Cyclopropane SCHEMBL2101355 | 0.85 | GAA (0.54) | ALDH1A1TSHRCYP3A4CYP2D6GAA | |
| Cyclohexanol SCHEMBL1553521 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4CYP2D6ADORA3 | |
| Phosphine SCHEMBL28194487 | 0.83 | GAA (0.52) | ALDH1A1TSHRCYP3A4CYP2D6GAA | |
| Cyclohexylamine SCHEMBL11787101 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4CYP2D6ADORA3 | |
| SCHEMBL4824258 | 0.82 | CYP2D6 (0.51) | ALDH1A1TSHRCYP3A4CYP2D6ADORA3 | |
| Cyclopentanol SCHEMBL1554394 | 0.82 | CYP2D6 (0.51) | ALDH1A1TSHRCYP3A4CYP2D6ADORA3 | |
| SCHEMBL631325 | 0.81 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4CYP2D6ADORA3 | |
| SCHEMBL17821289 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP3A4CYP2D6ADORA3 |
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-0974582-B1 | Process for the preparation of 4-substituted azetidinone derivatives | TAKASAGO PERFUMERY CO LTD (JP) | 2003-02-12 | — | — | EP | disclosed |
| US-6340751-B1 | REACTION OF IMIDAZOLONE WITH AMIDE AND MAGNESIUM COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2002-01-22 | — | — | US | disclosed |
| EP-0974582-A1 | Process for the preparation of 4-substituted azetidinone derivatives | Takasago International Corporation (JP) | 2000-01-26 | — | — | EP | disclosed |