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 | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.54 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.54 |
| ▸ | TCF4 | P15884 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.45 |
| ▸ | LOX | P28300 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3012713 | 0.84 | LOXL2 (0.76) | LOXL2MAPTCYP4F2CYP4A11SLC7A5 | |
| Hydrochloric Acid SCHEMBL4447485 | 0.83 | LOXL2 (0.73) | LOXL2MAPTCYP4F2CYP4A11SLC7A5 | |
| SCHEMBL4451522 | 0.80 | LOXL2 (0.54) | LOXL2MAPTCYP4F2CYP4A11HTR6 | |
| Phenethylamine SCHEMBL11784088 | 0.78 | HTR6 (0.56) | LOXL2CA2CA12CA1CA9 | |
| Methyl 3-Hydroxybenzoate SCHEMBL9471152 | 0.78 | TCF4 (0.57) | MAPTTCF4CTNNB1CA2CA12 | |
| SCHEMBL29768576 | 0.77 | CYP4F2 (0.58) | LOXL2MAPTCYP4F2CYP4A11TCF4 | |
| SCHEMBL29084501 | 0.77 | CYP4F2 (0.58) | LOXL2MAPTCYP4F2CYP4A11TCF4 | |
| SCHEMBL6964968 | 0.77 | BCHE (0.59) | LOXL2MAPTCYP4F2CYP4A11TCF4 | |
| SCHEMBL5725416 | 0.76 | CYP4A11 (0.73) | LOXL2MAPTCYP4F2CYP4A11SLC7A5 | |
| SCHEMBL70173 | 0.76 | CYP4F2 (0.83) | LOXL2MAPTCYP4F2CYP4A11SLC7A5 |
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-5739163-A | ANTICOAGULANTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-14 | — | — | US | disclosed |