Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | INSR | P06213 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.42 |
| ▸ | MAP2 | P11137 | 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 | |
|---|---|---|---|---|
| SCHEMBL28046663 | 0.85 | ALPL (0.50) | ROCK2ROCK1ADORA3ALDH1A1 | |
| SCHEMBL28046662 | 0.84 | JAK2 (0.43) | ROCK2ROCK1IKBKBADORA1ALDH1A1 | |
| SCHEMBL31706449 | 0.81 | MAP2 (0.48) | PARP1ADORA3CCNT1CDK9CDC7 | |
| SCHEMBL28046611 | 0.81 | MAPT (0.54) | ROCK2ROCK1PARP1ADORA3ALDH1A1 | |
| SCHEMBL28046615 | 0.81 | PARP1 (0.49) | PARP1ADORA3CDC7ADORA1SLC9A1 | |
| SCHEMBL28046610 | 0.77 | ROCK2 (0.54) | ROCK2ROCK1PARP1ADORA3ALDH1A1 | |
| SCHEMBL28046666 | 0.77 | ROCK2 (0.56) | ROCK2ROCK1PARP1ADORA3GSK3A | |
| SCHEMBL29670192 | 0.76 | KDM4E (0.45) | PARP1CDC7IKBKBALDH1A1HPGD | |
| SCHEMBL31706591 | 0.73 | ABCB1 (0.60) | PARP1MAP2 | |
| SCHEMBL28046616 | 0.72 | PARP1 (0.47) | ROCK2ROCK1PARP1ADORA3CDC7 |
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-105294688-A | 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof | UNIV BEIJING TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |