Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 4/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9846132 | 0.71 | PDE3B (0.53) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL4640070 | 0.70 | CYP3A4 (0.50) | KDM4EGAAHSD17B10ALDH1A1MAPT | |
| SCHEMBL16932995 | 0.68 | PTK2 (0.37) | GAAALDH1A1HTTPTK2 | |
| SCHEMBL9680326 | 0.68 | BRD4 (0.57) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL9681961 | 0.68 | PDE3B (0.50) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL9431837 | 0.67 | PDE3B (0.49) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL9333284 | 0.67 | PDE3B (0.49) | PDE3BPDE3APDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL9476064 | 0.67 | BRD4 (0.55) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL93992 | 0.64 | GAA (0.52) | KDM4EGAAHPGDHSD17B10ALDH1A1 | |
| SCHEMBL18080324 | 0.64 | PDE3B (0.40) | PDE3BPDE3AAURKBHCAR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |