Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL614874 | 0.86 | KDM4E (0.37) | KDM4EALDH1A1GAANSD2PDE4B | |
| SCHEMBL12069815 | 0.83 | AR (0.33) | PDE4BPDE4APDE4CPDE4DMALT1 | |
| SCHEMBL22637023 | 0.81 | ALDH1A1 (0.36) | KDM4EALDH1A1GAANSD2PDE4B | |
| SCHEMBL30372881 | 0.81 | ALDH1A1 (0.36) | KDM4EALDH1A1GAANSD2PDE4B | |
| SCHEMBL28967143 | 0.80 | MALT1 (0.30) | PDE4BMALT1 | |
| SCHEMBL29053479 | 0.78 | ALDH1A1 (0.35) | ALDH1A1GAAPDE3A | |
| SCHEMBL23422357 | 0.77 | NSD2 (0.37) | NSD2PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL31448668 | 0.71 | TSHR (0.35) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL16924038 | 0.70 | ALDH1A1 (0.34) | KDM4EALDH1A1GAANSD2MALT1 | |
| SCHEMBL20920749 | 0.69 | AR (0.39) | — |
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-107973809-B | Macrocyclic compounds as factor XIA inhibitors | 百时美施贵宝公司 | 2023-06-30 | — | — | CN | disclosed |