Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.38 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.38 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.38 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30523334 | 0.85 | BMPR1B (0.42) | ROCK2ALDH1A1KDM4EGAAEGLN2 | |
| SCHEMBL19280469 | 0.78 | PDE1B (0.42) | ALDH1A1KDM4EGAAEGLN2PDE2A | |
| SCHEMBL30523331 | 0.74 | ABL1 (0.36) | ALDH1A1KDM4EGAAEGLN2PDE2A | |
| SCHEMBL30598755 | 0.74 | PTPN1 (0.40) | ALDH1A1KDM4ELMNAMAPTPDE1B | |
| SCHEMBL19701834 | 0.73 | CSF1R (0.41) | ALDH1A1PDE2ANOS1LMNAMAPT | |
| SCHEMBL19354353 | 0.70 | PDE1B (0.44) | ALDH1A1KDM4EPDE2ALMNAMAPT | |
| SCHEMBL30523330 | 0.69 | PDE2A (0.39) | ALDH1A1KDM4EGAAPDE2ALMNA | |
| SCHEMBL29921576 | 0.68 | PDE1B (0.41) | ALDH1A1KDM4EPDE2ALMNAMAPT | |
| SCHEMBL30678371 | 0.67 | PDE1B (0.42) | ALDH1A1KDM4EPDE1BNPC1RAB9A | |
| SCHEMBL22055764 | 0.66 | PDE2A (0.43) | ALDH1A1KDM4EPDE2ALMNAMAPT |
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-116761801-A | Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same | 四川科伦博泰生物医药股份有限公司 | 2023-09-15 | — | — | CN | disclosed |