Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 13/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31026050 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL7406156 | 0.78 | CYP1A2 (0.47) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL3415966 | 0.77 | ALDH1A1 (0.67) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL21249436 | 0.76 | ALDH1A1 (0.62) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL1651235 | 0.75 | CYP2A6 (0.55) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL13680521 | 0.73 | CYP2A6 (0.57) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL2722995 | 0.73 | ALDH1A1 (0.65) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL30387315 | 0.73 | CYP2A6 (0.57) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL3601492 | 0.73 | CYP2A6 (0.57) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 | |
| SCHEMBL2323643 | 0.73 | CYP3A4 (0.57) | CYP3A4CYP2C19CYP2D6CYP2C9CYP2E1 |
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-1998039010-A1 | TRICYCLIC AND TETRACYCLIC PYRONES | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1998-09-11 | — | — | WO | disclosed |