Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 3/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.53 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.53 |
| ▸ | CDC25B | P30305 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.49 |
| ▸ | CDC25A | P30304 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL594370 | 0.87 | FOLH1 (0.59) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| SCHEMBL22729968 | 0.85 | TTR (0.52) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| Water SCHEMBL28745832 | 0.85 | FOLH1 (0.57) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| SCHEMBL29562805 | 0.85 | TTR (0.52) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| SCHEMBL28791455 | 0.84 | CYP2C8 (0.50) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| SCHEMBL5959807 | 0.84 | CYP2C9 (0.58) | CYP2C8CYP2C9ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL3104353 | 0.82 | KDM4C (0.53) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| SCHEMBL5215160 | 0.82 | BCAT2 (0.61) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| SCHEMBL28427727 | 0.81 | KDM4E (0.89) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 | |
| SCHEMBL29941267 | 0.81 | KDM4E (0.89) | CYP2C8CYP2C9KDM4EALDH1A1SRD5A2 |
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-101208342-A | Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists | WYETH CORP (US) | 2008-06-25 | — | — | CN | disclosed |