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 | 9/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7687975 | 0.83 | CYP2D6 (0.48) | ALDH1A1CYP2D6MAPK1SNCACYP1A2 | |
| SCHEMBL7202460 | 0.83 | CYP2D6 (0.48) | ALDH1A1CYP2D6MAPK1SNCACYP1A2 | |
| Pimagedine SCHEMBL1551679 | 0.80 | CYP2D6 (0.55) | ALDH1A1CYP2D6MAPK1SNCAMAPT | |
| Diethylamine SCHEMBL3300840 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP2D6MAPK1POLBPKM | |
| SCHEMBL8855092 | 0.77 | MAPK1 (0.43) | ALDH1A1CYP2D6MAPK1SNCACYP1A2 | |
| Ethylamine SCHEMBL3808345 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP2D6MAPK1SNCACYP1A2 | |
| Guanidine SCHEMBL811270 | 0.76 | CYP2D6 (0.61) | ALDH1A1CYP2D6MAPK1SNCACYP1A2 | |
| Propane SCHEMBL3563886 | 0.76 | GAA (0.54) | ALDH1A1CYP2D6MAPK1SNCACYP1A2 | |
| Propane SCHEMBL28408609 | 0.76 | GAA (0.54) | ALDH1A1CYP2D6MAPK1SNCACYP1A2 | |
| SCHEMBL6913759 | 0.76 | GAA (0.59) | ALDH1A1CYP2D6MAPK1PKMSNCA |
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-5140048-A | Inhibitors of nonenzymatic cross-linking | THE ROCKEFELLER UNIVERSITY (US) | 1992-08-18 | — | — | US | disclosed |