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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | RABGGTB | P53611 | 1/20 | 0.33 |
| ▸ | RABGGTA | Q92696 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9814338 | 0.94 | CYP2D6 (0.35) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| SCHEMBL4624414 | 0.86 | CYP2D6 (0.40) | CYP2D6ALDH1A1MCHR1L3MBTL1CNR2 | |
| SCHEMBL7585205 | 0.81 | S1PR1 (0.38) | ALDH1A1KMT2AS1PR3LMNATSHR | |
| SCHEMBL9818083 | 0.81 | CYP2D6 (0.38) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| SCHEMBL9840134 | 0.81 | CYP2D6 (0.38) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| SCHEMBL9814354 | 0.77 | ALDH1A1 (0.40) | CYP2D6ALDH1A1MCHR1CRHBPCRHR2 | |
| Cetyl Alcohol SCHEMBL27625313 | 0.76 | MCHR1 (0.50) | ALDH1A1MCHR1L3MBTL1CNR2KMT2A | |
| Cetostearyl Alcohol SCHEMBL2194656 | 0.76 | MCHR1 (0.50) | ALDH1A1MCHR1L3MBTL1CNR2KMT2A | |
| Octanol SCHEMBL27906975 | 0.76 | MCHR1 (0.50) | ALDH1A1MCHR1L3MBTL1CNR2KMT2A | |
| Decane SCHEMBL17004268 | 0.75 | MCHR1 (0.56) | ALDH1A1MCHR1L3MBTL1CNR2S1PR3 |
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 9 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 | claimed |
| US-5011937-A | Internal and external antistatic agents for fibers | PPG INDUSTRIES, INC. (US) | 1991-04-30 | — | — | US | claimed |
| WO-1990005724-A1 | TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES | PPG INDUSTRIES, INC. (US) | 1990-05-31 | — | — | WO | claimed |
| EP-1242670-B1 | WATER- AND OIL-REPELLENT, ANTISTATIC COMPOSITION | 3M INNOVATIVE PROPERTIES CO (US) | 2008-05-21 | — | — | EP | disclosed |
| US-7361706-B2 | Water- and oil-repellent, antistatic composition | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2008-04-22 | — | — | US | disclosed |
| US-6784237-B2 | Water-and oil-repellent, antistatic composition | 3M INNOVATIVE PROPERTIES COMPANY | 2004-08-31 | — | — | US | disclosed |
| US-20040167265-A1 | nonpolymeric ionic salt of monovalent metal cation, divalent metal cation, or organic onium cation (for example, a quaternary ammonium ion) and at least one weakly coordinating anion with fluorochemical repellent, and thermoplastic resin | 3M INNOVATIVE PROPERTIES COMPANY | 2004-08-26 | — | — | US | disclosed |
| US-20030211320-A1 | Water-and oil-repellent, antistatic composition | 3M INNOVATIVE PROPERTIES COMPANY | 2003-11-13 | — | — | US | disclosed |
| US-6592988-B1 | Water-and oil-repellent, antistatic composition | 3M INNOVATIVE PROPERTIES COMPANY | 2003-07-15 | — | — | US | disclosed |