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 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL193327 | 0.90 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL3417979 | 0.83 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL2033514 | 0.79 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL11259640 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| 3-Methylbutanol SCHEMBL11364355 | 0.77 | CYP2C19 (0.45) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| Isoamylamine SCHEMBL16971287 | 0.75 | CYP2D6 (0.46) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL27152735 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL11610411 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| Isobutanol SCHEMBL28032479 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL3419220 | 0.74 | GAA (0.59) | ALDH1A1MEN1KMT2ACYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1287007-A1 | PHOSPHONIUM SALTS | CYTEC TECHNOLOGY CORP. (US) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087900-A1 | PHOSPHONIUM SALTS | CYTEC TECHNOLOGY CORP. (US) | 2001-11-22 | — | — | WO | disclosed |