Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC3R | P41968 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3308217 | 0.84 | CYP2C19 (0.69) | EPHX1CYP2C19CYP2D6CYP1A2SMN1; SMN2 | |
| SCHEMBL28223386 | 0.83 | EPHX1 (0.58) | EPHX1CYP2C19CYP2D6CYP1A2PKM | |
| SCHEMBL3917092 | 0.83 | CYP2C19 (0.44) | EPHX1CYP2C19CYP2D6CYP1A2PKM | |
| SCHEMBL6631805 | 0.83 | CYP2C19 (0.73) | EPHX1CYP2C19CYP2D6CYP1A2PKM | |
| SCHEMBL6462542 | 0.81 | EPHX1 (0.40) | EPHX1GABBR2GABBR1 | |
| SCHEMBL8620344 | 0.81 | CYP2C19 (0.71) | EPHX1CYP2C19CYP2D6CYP1A2PKM | |
| SCHEMBL29768390 | 0.81 | EPHX1 (0.56) | EPHX1CYP2C19CYP2D6CYP1A2PKM | |
| SCHEMBL8624668 | 0.81 | CYP2C19 (0.71) | EPHX1CYP2C19CYP2D6CYP1A2PKM | |
| SCHEMBL6820157 | 0.81 | KMT2A (0.42) | EPHX1CYP2C19CYP2D6CYP1A2LMNA | |
| SCHEMBL6820001 | 0.81 | ALOX5 (0.42) | EPHX1CYP2C19PKMSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100410245-C | Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents | PHARMACIA & UPJOHN SPA (IT) | 2008-08-13 | — | — | CN | disclosed |
| EP-1392315-A1 | METHODS OF TREATING ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2004-03-03 | — | — | EP | disclosed |
| CN-1425009-A | Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents | PHARMACIA & UPJOHN SPA (IT) | 2003-06-18 | — | — | CN | disclosed |
| WO-2002100410-A1 | METHODS OF TREATING ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |