Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.38 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424618 | 0.86 | RPS6KA3 (0.53) | RPS6KA3F2CNR2CYP11B2MAPT | |
| SCHEMBL7419776 | 0.82 | CNR2 (0.46) | CNR2SLC7A5TDP1 | |
| SCHEMBL21711900 | 0.72 | WDR5 (0.47) | ATMALDH1A1CYP46A1SLC2A1CYP2A6 | |
| SCHEMBL12261518 | 0.70 | KDM4E (0.56) | ATMALDH1A1CYP46A1TGFBR1KDM4E | |
| SCHEMBL21712000 | 0.69 | LOXL2 (0.47) | SLC2A1CYP2A6 | |
| SCHEMBL31027179 | 0.69 | GPBAR1 (0.56) | SLC2A1 | |
| SCHEMBL29236310 | 0.69 | GPBAR1 (0.56) | SLC2A1 | |
| SCHEMBL31027177 | 0.69 | TPMT (0.47) | CNR2CYP11B1CYP11B2 | |
| SCHEMBL30571537 | 0.69 | SLC6A3 (0.56) | ATMCNR2ALDH1A1CYP46A1KDM4E | |
| SCHEMBL29236274 | 0.69 | TPMT (0.47) | CNR2CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |