Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017561 | 0.95 | BCHE (0.37) | HDAC1BCHEACHEGRM2KDM4E | |
| SCHEMBL5025766 | 0.87 | CYP4F2 (0.34) | BCHEACHEKDM4EALDH1A1HPGD | |
| SCHEMBL5017436 | 0.85 | HDAC1 (0.39) | HDAC1KDM4EALDH1A1HPGDNR4A2 | |
| SCHEMBL5017724 | 0.82 | ACHE (0.35) | BCHEACHEAPPROCK2ROCK1 | |
| SCHEMBL5015634 | 0.79 | VSIR (0.40) | HDAC1KDM4EALDH1A1HPGDROCK2 | |
| SCHEMBL5015644 | 0.79 | NR4A2 (0.48) | KDM4EALDH1A1NR4A2ROCK2ROCK1 | |
| SCHEMBL5025828 | 0.75 | POLB (0.38) | KDM4EALDH1A1HPGD | |
| SCHEMBL4302681 | 0.74 | CHEK1 (0.55) | NR4A2 | |
| SCHEMBL5017781 | 0.73 | TRIM24 (0.37) | ALDH1A1HPGDNR4A2 | |
| SCHEMBL5017669 | 0.71 | CYP11B1 (0.43) | ROCK2 |
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 |