Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 9/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30678373 | 0.87 | HDAC1 (0.40) | PDE1BALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL30678372 | 0.84 | NPC1 (0.47) | ALDH1A1SMN1; SMN2MEN1HTTKMT2A | |
| SCHEMBL30678371 | 0.76 | PDE1B (0.42) | PDE1BALDH1A1SMN1; SMN2POLB | |
| SCHEMBL19354353 | 0.68 | PDE1B (0.44) | PDE1BALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29921576 | 0.68 | PDE1B (0.41) | PDE1BALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL19354354 | 0.66 | PDE1B (0.42) | PDE1BALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL19354355 | 0.64 | PDE1B (0.39) | PDE1BALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL30598755 | 0.64 | PTPN1 (0.40) | PDE1BALDH1A1SMN1; SMN2POLBHTT | |
| SCHEMBL30523330 | 0.64 | PDE2A (0.39) | PDE1BALDH1A1SMN1; SMN2MEN1HTT | |
| SCHEMBL19354356 | 0.64 | PDE1B (0.36) | PDE1BLMNAPDE2A |
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 |