Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL5024319 | 0.80 | CD274 (0.42) | HPGD | |
| SCHEMBL5017853 | 0.79 | METAP2 (0.43) | MAPK8MAPK10MAPK14ABL1PDE1A | |
| SCHEMBL5025828 | 0.77 | POLB (0.38) | HPGDMAPK8MAPK10ALDH1A1ABL1 | |
| SCHEMBL5024099 | 0.75 | HPGD (0.41) | HPGDMAPK14ALDH1A1CHEK1TLR9 | |
| SCHEMBL5017565 | 0.74 | METAP2 (0.49) | HPGDMAPK8MAPK10MAPK14HDAC1 | |
| SCHEMBL4294867 | 0.73 | CHEK1 (0.67) | SETD7HPGDBRAFABL1BCR | |
| SCHEMBL5017436 | 0.71 | HDAC1 (0.39) | HPGDBRAFHDAC1ALDH1A1CHEK1 | |
| SCHEMBL5024275 | 0.69 | LIMK1 (0.41) | HPGDALDH1A1ABL1BCRSMN1; SMN2 | |
| SCHEMBL5017561 | 0.68 | BCHE (0.37) | HPGDHDAC1ALDH1A1CHEK1KMT2A | |
| SCHEMBL5015634 | 0.67 | VSIR (0.40) | HPGDHDAC1ALDH1A1ROCK2ROCK1 |
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 |