Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 15/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL30523334 | 0.78 | BMPR1B (0.42) | PDE1BPTGDRPDE2AMAPTLMNA | |
| SCHEMBL19354353 | 0.78 | PDE1B (0.44) | PDE1BPDE2AMAPTLMNAKDM4E | |
| SCHEMBL30523330 | 0.77 | PDE2A (0.39) | PDE1BPDE2AMAPTLMNAKDM4E | |
| SCHEMBL29921576 | 0.75 | PDE1B (0.41) | PDE1BPDE2AMAPTLMNAKDM4E | |
| SCHEMBL30678371 | 0.74 | PDE1B (0.42) | PDE1BKDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL19354354 | 0.74 | PDE1B (0.42) | PDE1BPDE2AMAPTLMNAKDM4E | |
| SCHEMBL19354355 | 0.71 | PDE1B (0.39) | PDE1BPDE2AMAPTLMNAKDM4E | |
| SCHEMBL19354352 | 0.71 | PDE2A (0.36) | PDE1BPDE2AMAPTLMNAKDM4E | |
| SCHEMBL30523353 | 0.70 | PDE1B (0.35) | PDE1BPDE2A | |
| SCHEMBL30523358 | 0.70 | ABL1 (0.35) | PDE1BPDE2A |
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 |