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 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11780791 | 0.85 | CYP2D6 (0.38) | CYP2D6ALDH1A1MCHR1L3MBTL1CYP1A2 | |
| SCHEMBL4624414 | 0.81 | CYP2D6 (0.40) | CYP2D6ALDH1A1MCHR1L3MBTL1CYP1A2 | |
| Heptane SCHEMBL8501523 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB | |
| Undecane SCHEMBL28638565 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB | |
| Tetradecane SCHEMBL29089041 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB | |
| Decane SCHEMBL17004268 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB | |
| Octane SCHEMBL356741 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB | |
| Octane SCHEMBL8462698 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB | |
| Dodecane SCHEMBL7126605 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB | |
| Nonane SCHEMBL28716314 | 0.79 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1LMNAALB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3931129-A | FLUOROELASTOMER COMPOSITION | DAIKIN KOGYO CO., LTD. (JA) | 1976-01-06 | — | — | US | disclosed |