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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4626362 | 0.94 | CYP2D6 (0.39) | CYP2D6ALDH1A1CRHBPCRHR2MCHR1 | |
| SCHEMBL4624414 | 0.81 | CYP2D6 (0.40) | CYP2D6ALDH1A1MCHR1CNR2L3MBTL1 | |
| SCHEMBL141306 | 0.78 | FAAH (0.38) | FAAH | |
| SCHEMBL141304 | 0.78 | FAAH (0.38) | FAAH | |
| SCHEMBL11859264 | 0.77 | CNR1 (0.48) | ALDH1A1FAAH | |
| Hydrochloric Acid SCHEMBL142026 | 0.76 | FAAH (0.37) | FAAH | |
| Hydrochloric Acid SCHEMBL142028 | 0.76 | FAAH (0.37) | FAAH | |
| SCHEMBL9818083 | 0.76 | CYP2D6 (0.38) | CYP2D6ALDH1A1CRHBPCRHR2MCHR1 | |
| SCHEMBL9840134 | 0.76 | CYP2D6 (0.38) | CYP2D6ALDH1A1CRHBPCRHR2MCHR1 | |
| SCHEMBL11780452 | 0.74 | CYP2D6 (0.41) | CYP2D6ALDH1A1MCHR1CNR2L3MBTL1 |
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-0442965-A1 | TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES | PPG INDUSTRIES, INC. (US) | 1991-08-28 | — | — | EP | disclosed |
| 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 |
| WO-1990005724-A1 | TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES | PPG INDUSTRIES, INC. (US) | 1990-05-31 | — | — | WO | disclosed |