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 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | RABGGTB | P53611 | 1/20 | 0.33 |
| ▸ | RABGGTA | Q92696 | 1/20 | 0.33 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9818083 | 1.00 | CYP2D6 (0.38) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| SCHEMBL4626362 | 0.81 | CYP2D6 (0.39) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| SCHEMBL11780791 | 0.80 | CYP2D6 (0.38) | CYP2D6ALDH1A1MCHR1L3MBTL1NPC1 | |
| SCHEMBL9814354 | 0.76 | ALDH1A1 (0.40) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| SCHEMBL9814338 | 0.76 | CYP2D6 (0.35) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| Dodecane SCHEMBL7126605 | 0.74 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1CNR2CYP3A4 | |
| Heptane SCHEMBL8501523 | 0.74 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1CNR2CYP3A4 | |
| Decane SCHEMBL17004268 | 0.74 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1CNR2CYP3A4 | |
| Octane SCHEMBL8462698 | 0.74 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1CNR2CYP3A4 | |
| Nonane SCHEMBL28716314 | 0.74 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1CNR2CYP3A4 |
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-5011937-A | Internal and external antistatic agents for fibers | PPG INDUSTRIES, INC. (US) | 1991-04-30 | — | — | US | disclosed |
| US-4973616-A | ANTISTATIC AGENTS FOR SYNTHETIC FIBERS AND PLASTICS | PPG INDUSTRIES, INC. (US) | 1990-11-27 | — | — | US | disclosed |