Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7202591 | 0.67 | CYP1A2 (0.41) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL7202599 | 0.65 | CYP1A2 (0.42) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL23403351 | 0.63 | KDM4E (0.32) | KDM4EALDH1A1HPGD | |
| SCHEMBL5271072 | 0.62 | DAO (0.44) | KDM4EALDH1A1HPGDHIF1ATSHR | |
| SCHEMBL8665385 | 0.61 | CYP1A2 (0.67) | CYP1A2CYP2C19KDM4EALDH1A1KDM5A | |
| SCHEMBL12190615 | 0.60 | PDE3B (0.37) | KDM4EALDH1A1HPGDHIF1APDE3B | |
| SCHEMBL11649048 | 0.60 | HSD17B10 (0.37) | HSD17B10 | |
| SCHEMBL25328042 | 0.59 | ESR1 (0.33) | CYP1A2CYP2C19 | |
| SCHEMBL25326991 | 0.59 | FASN (0.34) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL25328163 | 0.59 | GABRA1 (0.32) | CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003084538-A1 | METHODS FOR TREATING ROSACEA WITH PYRIDONES | MEDICIS PHARMACEUTICAL CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |