Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 3/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.32 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | AVPR1B | P47901 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5025766 | 0.85 | CYP4F2 (0.34) | ACHEBCHEROCK2ROCK1ABHD6 | |
| SCHEMBL5017494 | 0.82 | HDAC1 (0.32) | ACHEBCHEROCK2ROCK1APP | |
| SCHEMBL5024158 | 0.79 | TP53 (0.41) | — | |
| SCHEMBL5017561 | 0.77 | BCHE (0.37) | ACHEBCHE | |
| SCHEMBL5017584 | 0.77 | NOS3 (0.35) | PLGPLAUPLAT | |
| SCHEMBL5015634 | 0.76 | VSIR (0.40) | ROCK2ROCK1AVPR1B | |
| SCHEMBL5025775 | 0.74 | HSD17B1 (0.45) | — | |
| SCHEMBL5017431 | 0.73 | EPRS1 (0.43) | — | |
| SCHEMBL5025819 | 0.73 | DHODH (0.46) | — | |
| SCHEMBL5025821 | 0.70 | NR4A2 (0.35) | — |
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 |