Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 6/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.72 |
| ▸ | TP53 | P04637 | 5/20 | 0.72 |
| ▸ | MEN1 | O00255 | 4/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | HPGD | P15428 | 4/20 | 0.72 |
| ▸ | CASP1 | P29466 | 3/20 | 0.72 |
| ▸ | CASP7 | P55210 | 3/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.69 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL7660093 | 0.91 | CYP3A4 (0.83) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| Demethoxykanugin SCHEMBL13582763 | 0.87 | CYP3A4 (0.78) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30807156 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4650077 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7652657 | 0.82 | ADORA3 (1.00) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30266769 | 0.82 | CYP3A4 (0.90) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL24614952 | 0.81 | ABCG2 (1.00) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7660020 | 0.81 | MAPT (0.70) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30807197 | 0.81 | CYP3A4 (0.87) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL5139273 | 0.81 | CYP3A4 (0.81) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109800-A1 | NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE | LG CHEMICAL LIMITED (KR) | 2001-06-27 | — | — | EP | claimed |
| WO-2000012496-A1 | NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE | LG CHEMICAL LTD. (KR) | 2000-03-09 | — | — | WO | claimed |
| US-6500846-B1 | 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE | LG CHEMICAL, LTD. (KR) | 2002-12-31 | — | — | US | disclosed |