Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 10/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 10/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | WNT1 | P04628 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5015644 | 0.80 | NR4A2 (0.48) | ROCK2 | |
| SCHEMBL5017781 | 0.76 | TRIM24 (0.37) | CYP2C9CYP2C19CYP1A2ERN1 | |
| SCHEMBL4291902 | 0.74 | CHEK1 (0.59) | CYP11B1CYP11B2CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5025828 | 0.72 | POLB (0.38) | LRRK2 | |
| SCHEMBL5024275 | 0.72 | LIMK1 (0.41) | — | |
| SCHEMBL5017494 | 0.71 | HDAC1 (0.32) | ROCK2 | |
| SCHEMBL5024158 | 0.70 | TP53 (0.41) | CYP2C19CYP1A2PRMT5 | |
| SCHEMBL5017561 | 0.70 | BCHE (0.37) | PIK3CG | |
| SCHEMBL5025766 | 0.70 | CYP4F2 (0.34) | CYP2D6CYP2C9CYP3A4ROCK2 | |
| SCHEMBL5017436 | 0.70 | HDAC1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | claimed |
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |