Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16303890 | 0.86 | EPHX1 (0.58) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL6490343 | 0.83 | MEN1 (0.60) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL5425582 | 0.83 | ALDH1A1 (0.54) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL3783697 | 0.83 | CA12 (0.48) | CA12CA1CA9PSMB8MEN1 | |
| SCHEMBL29881333 | 0.82 | MAPT (0.56) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL6814964 | 0.82 | MAPT (0.56) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL3202901 | 0.82 | HTT (0.62) | MEN1KMT2AALDH1A1GAAHTT | |
| SCHEMBL4417083 | 0.82 | CA12 (0.47) | CA12CA1CA9PSMB8MEN1 | |
| SCHEMBL29666354 | 0.82 | AR (0.49) | CA12CA1CA9HTTMAPT | |
| SCHEMBL12228592 | 0.82 | AR (0.49) | CA12CA1CA9HTTMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |