Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 13/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30598755 | 0.83 | PTPN1 (0.40) | PDE1BPTPN1EGLN1KDM4EALDH1A1 | |
| SCHEMBL19354353 | 0.81 | PDE1B (0.44) | PDE1BKDM4EALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL30678373 | 0.79 | HDAC1 (0.40) | PDE1BALDH1A1SMN1; SMN2POLB | |
| SCHEMBL29921576 | 0.79 | PDE1B (0.41) | PDE1BKDM4EALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL30612393 | 0.77 | PTPN1 (0.43) | PDE1BPTPN1EGLN1KDM4EALDH1A1 | |
| SCHEMBL19354355 | 0.77 | PDE1B (0.39) | PDE1BKDM4EALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL30678372 | 0.76 | NPC1 (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30678368 | 0.76 | PDE1B (0.36) | PDE1BALDH1A1SMN1; SMN2POLB | |
| SCHEMBL12283605 | 0.76 | GAA (0.39) | PDE1BPTPN1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30523334 | 0.75 | BMPR1B (0.42) | PDE1BKDM4EALDH1A1 |
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-117126140-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 | 2023-11-28 | — | — | CN | disclosed |