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 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4072713 | 0.81 | CYP2D6 (0.45) | CYP2D6ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL28382749 | 0.76 | CYP2D6 (0.40) | CYP2D6ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL4462154 | 0.76 | CYP2D6 (0.50) | CYP2D6ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL27807839 | 0.75 | — | — | |
| Methane SCHEMBL27830991 | 0.74 | — | — | |
| Methane SCHEMBL28028970 | 0.73 | — | — | |
| Bromide SCHEMBL6700099 | 0.73 | — | — | |
| Allylamine SCHEMBL6135332 | 0.72 | TDP1 (0.50) | CYP2D6ALDH1A1KDM4EMAPTPKM | |
| Allylamine SCHEMBL3838105 | 0.72 | TDP1 (0.50) | CYP2D6ALDH1A1KDM4EMAPTPKM | |
| Propene SCHEMBL11202514 | 0.71 | TDP1 (0.57) | CYP2D6ALDH1A1KDM4EMAPTPKM |
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 |