Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.64 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.64 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.64 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.63 |
| ▸ | KDR | P35968 | 12/20 | 0.60 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.54 |
| ▸ | PIM1 | P11309 | 4/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.54 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.54 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.54 |
| ▸ | LTK | P29376 | 1/20 | 0.51 |
| ▸ | MST1R | Q04912 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.50 |
| ▸ | STK3 | Q13188 | 3/20 | 0.50 |
| ▸ | NTRK3 | Q16288 | 3/20 | 0.50 |
| ▸ | TAOK1 | Q7L7X3 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1335607 | 0.86 | KDR (0.82) | KDRCLK4PIM1ROCK1ROCK2 | |
| SCHEMBL30331758 | 0.84 | PARP10 (0.69) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL1333209 | 0.83 | KDR (0.57) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL19608227 | 0.83 | PIK3CD (0.64) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL29845432 | 0.81 | CLK4 (0.57) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL30775282 | 0.80 | KDR (0.58) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL30775285 | 0.79 | KDR (0.57) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL28860691 | 0.79 | KDR (0.54) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL30543353 | 0.79 | KDR (0.62) | PIK3CDPIK3CAPIK3CBKDRCLK4 | |
| SCHEMBL1333899 | 0.79 | KDR (0.65) | KDRCLK4PIM1ROCK1DYRK1A |
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-108368053-A | Substituted benzazepine derivatives as antibacterial compounds | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-08-03 | — | — | CN | disclosed |