Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 2/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19286229 | 0.86 | KAT2B (0.37) | KAT2BDAPK3ROCK2CHEK2PIM1 | |
| SCHEMBL19286259 | 0.84 | DAPK3 (0.30) | DAPK3ROCK2CHEK2PIM1PLK1 | |
| SCHEMBL19286293 | 0.82 | — | — | |
| SCHEMBL19286294 | 0.79 | CA1 (0.33) | DAPK3ROCK2CHEK2PIM1PLK1 | |
| SCHEMBL19286271 | 0.76 | KAT2B (0.34) | KAT2BDAPK3ROCK2CHEK2PIM1 | |
| SCHEMBL19286296 | 0.76 | CCR6 (0.32) | KAT2BDAPK3ROCK2CHEK2PIM1 | |
| SCHEMBL19286260 | 0.76 | PLK1 (0.32) | DAPK3ROCK2CHEK2PIM1PLK1 | |
| SCHEMBL17470134 | 0.75 | KAT2B (0.34) | KAT2BDAPK3ROCK2CHEK2PIM1 | |
| SCHEMBL19286178 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL19286228 | 0.73 | MAPKAPK2 (0.37) | DAPK3ROCK2CHEK2PIM1PLK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |