Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 5/20 | 0.48 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.34 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017781 | 0.82 | TRIM24 (0.37) | NR4A2AXLALDH1A1GAA | |
| SCHEMBL5025828 | 0.82 | POLB (0.38) | ALDH1A1NEK1KDM4E | |
| SCHEMBL5017561 | 0.80 | BCHE (0.37) | NR4A2ALDH1A1KDM4E | |
| SCHEMBL5017669 | 0.80 | CYP11B1 (0.43) | ROCK2 | |
| SCHEMBL5017436 | 0.80 | HDAC1 (0.39) | NR4A2ALDH1A1KDM4ETBK1 | |
| SCHEMBL5017494 | 0.79 | HDAC1 (0.32) | NR4A2ALDH1A1KDM4EROCK2ROCK1 | |
| SCHEMBL5024275 | 0.78 | LIMK1 (0.41) | ALDH1A1KDM4E | |
| SCHEMBL5025766 | 0.76 | CYP4F2 (0.34) | ALDH1A1KDM4EROCK2ROCK1 | |
| SCHEMBL5015634 | 0.76 | VSIR (0.40) | ALDH1A1KDM4EROCK2ROCK1 | |
| SCHEMBL5024110 | 0.74 | KDM4E (0.34) | ALDH1A1KDM4EGAA |
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 |