Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9846329 | 1.00 | CYP2C19 (0.39) | CYP2C19CYP2C9CA12CA9PDE4D | |
| SCHEMBL9846223 | 0.76 | CYP2C19 (0.45) | CYP2C19CYP2C9CA12CA9PDE4D | |
| SCHEMBL9846216 | 0.74 | CYP2C19 (0.43) | CYP2C19CYP2C9CA12CA9PDE4D | |
| SCHEMBL9846162 | 0.74 | APP (0.42) | MAOAMAOBMAPTALDH1A1NPC1 | |
| SCHEMBL9846166 | 0.74 | APP (0.42) | MAOAMAOBMAPTALDH1A1NPC1 | |
| SCHEMBL9265244 | 0.72 | APP (0.44) | MAPTMEN1NPC1KMT2A | |
| SCHEMBL9431734 | 0.67 | NR1H3 (0.33) | PDE4DMAPTL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL9431737 | 0.67 | NR1H3 (0.33) | PDE4DMAPTL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL9846194 | 0.67 | PDE3B (0.36) | PDE10AALDH1A1MEN1KMT2A | |
| SCHEMBL9846195 | 0.67 | PDE3B (0.36) | PDE10AALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |