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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL18151800 | 0.97 | ALDH1A1 (0.45) | ALDH1A1CYP2D6TSHRPLA2G2CCA12 | |
| Butoxyethanol SCHEMBL15864709 | 0.94 | TSHR (0.52) | ALDH1A1CYP2D6TSHRPLA2G2CCA12 | |
| SCHEMBL921765 | 0.93 | ALDH1A1 (0.49) | ALDH1A1CYP2D6TSHRPLA2G2CCA12 | |
| Pentane SCHEMBL28482247 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP2D6TSHRCA12CA1 | |
| Hexane SCHEMBL7122950 | 0.87 | MCHR1 (0.53) | ALDH1A1TSHRCA12CA1CA2 | |
| Heptane SCHEMBL8501523 | 0.85 | MCHR1 (0.56) | ALDH1A1TSHRCA12CA1CA2 | |
| Dodecane SCHEMBL7126605 | 0.85 | MCHR1 (0.56) | ALDH1A1TSHRCA12CA1CA2 | |
| Octane SCHEMBL356741 | 0.85 | MCHR1 (0.56) | ALDH1A1TSHRCA12CA1CA2 | |
| Decane SCHEMBL17004268 | 0.85 | MCHR1 (0.56) | ALDH1A1TSHRCA12CA1CA2 | |
| Octane SCHEMBL8462698 | 0.85 | MCHR1 (0.56) | ALDH1A1TSHRCA12CA1CA2 |
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-0451155-B1 | FLUORINATED LUBRICATING COMPOSITIONS | AlliedSignal Inc. (US) | 1993-05-12 | — | — | EP | disclosed |
| EP-0451155-A1 | FLUORINATED LUBRICATING COMPOSITIONS. | ALLIED SIGNAL INC (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4975212-A | POLYOXYALKYLENE GLYCOL ENDCAPPED WITH FLUORINATED ALKYL GROUPS | ALLIED-SIGNAL INC. (US) | 1990-12-04 | — | — | US | disclosed |
| WO-1990007562-A1 | FLUORINATED LUBRICATING COMPOSITIONS | ALLIED-SIGNAL INC. (US) | 1990-07-12 | — | — | WO | disclosed |