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 | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 6/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 6/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 6/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 6/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 6/20 | 0.37 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL28110139 | 0.83 | CA2 (0.42) | MCHR1CNR2ALDH1A1CA12CA2 | |
| SCHEMBL9719925 | 0.80 | MCHR1 (0.61) | MCHR1CNR2ALDH1A1CA12CA2 | |
| Cetostearyl Alcohol SCHEMBL2194656 | 0.79 | MCHR1 (0.50) | MCHR1CNR2ALDH1A1LMNAMAPT | |
| Cetyl Alcohol SCHEMBL27625313 | 0.79 | MCHR1 (0.50) | MCHR1CNR2ALDH1A1LMNAMAPT | |
| Octanol SCHEMBL27906975 | 0.79 | MCHR1 (0.50) | MCHR1CNR2ALDH1A1LMNAMAPT | |
| Dodecane SCHEMBL7126605 | 0.79 | MCHR1 (0.56) | MCHR1CNR2ALDH1A1CA12CA2 | |
| Octane SCHEMBL8462698 | 0.79 | MCHR1 (0.56) | MCHR1CNR2ALDH1A1CA12CA2 | |
| Tetradecane SCHEMBL29089041 | 0.79 | MCHR1 (0.56) | MCHR1CNR2ALDH1A1CA12CA2 | |
| Decane SCHEMBL17004268 | 0.79 | MCHR1 (0.56) | MCHR1CNR2ALDH1A1CA12CA2 | |
| Heptane SCHEMBL8501523 | 0.79 | MCHR1 (0.56) | MCHR1CNR2ALDH1A1CA12CA2 |
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-5091452-A | Containing quaternary ammonium salt antistatic agent | ARMSTRONG WORLD INDUSTRIES, INC. (US) | 1992-02-25 | — | — | US | disclosed |