Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 3/20 | 0.38 |
| ▸ | LATS1 | O95835 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL31005773 | 0.79 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10KDM4EATR | |
| SCHEMBL17061682 | 0.76 | CYP3A4 (0.49) | CYP3A4ALDH1A1HSD17B10KDM4EATR | |
| SCHEMBL6805985 | 0.72 | PARP1 (0.56) | ROCK2ROCK1 | |
| SCHEMBL6805989 | 0.72 | PARP1 (0.38) | CYP3A4 | |
| SCHEMBL25214785 | 0.70 | ATR (0.48) | CYP3A4ATR | |
| SCHEMBL30088654 | 0.70 | RPS6KB1 (0.46) | ALDH1A1HSD17B10KDM4E | |
| SCHEMBL18228362 | 0.69 | CYP3A4 (0.54) | CYP3A4ATRLATS1LMNAGAA | |
| SCHEMBL28711057 | 0.69 | SIRT3 (0.49) | CYP3A4ROCK2ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6586196 | 0.66 | BRD4 (0.44) | TGFBR1 | |
| SCHEMBL883907 | 0.66 | CDC7 (0.58) | ROCK2ALDH1A1HSD17B10KDM4ECDC7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104903325-A | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA | 2015-09-09 | — | — | CN | disclosed |