Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7912329 | 0.83 | HPGD (0.57) | ABCG2CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL11477475 | 0.81 | ADORA3 (0.53) | CYP1B1HPGDKDM4EADORA1CYP3A4 | |
| SCHEMBL11478429 | 0.80 | ADORA3 (0.48) | CYP1A2ALDH1A1KDM4EADORA1CYP3A4 | |
| SCHEMBL11491095 | 0.79 | ERAP1 (0.49) | HPGDALDH1A1KDM4EADORA1MAPT | |
| SCHEMBL11483271 | 0.79 | MAOB (0.45) | KDM4EADORA1MAPTLMNAERAP1 | |
| SCHEMBL24865104 | 0.77 | ABCG2 (0.51) | ABCG2CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL17292888 | 0.76 | ABCG2 (1.00) | ABCG2CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL669375 | 0.76 | MAOB (0.70) | CYP1A2CYP1B1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL29466790 | 0.76 | MAOB (0.70) | CYP1A2CYP1B1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL7389073 | 0.75 | ABCG2 (0.50) | ABCG2CYP1A1CYP1A2CYP1B1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4230850-A | HYPOTENSIVE AGENTS, VASODILATION | LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1980-10-28 | — | — | US | disclosed |