Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9846216 | 0.82 | CYP2C19 (0.43) | CYP2C19CYP2C9PDE10APDE4DCA12 | |
| SCHEMBL9846332 | 0.76 | CYP2C19 (0.39) | CYP2C19CYP2C9PDE10APDE4DCA12 | |
| SCHEMBL9846329 | 0.76 | CYP2C19 (0.39) | CYP2C19CYP2C9PDE10APDE4DCA12 | |
| SCHEMBL9846222 | 0.72 | SMN1; SMN2 (0.41) | MAPTALDH1A1GLAL3MBTL1 | |
| SCHEMBL5573693 | 0.71 | MAPT (0.54) | CYP2C19CYP2C9MAPT | |
| SCHEMBL9278111 | 0.67 | PIK3CD (0.44) | CYP2C19MAPTPDE3BPDE3AALDH1A1 | |
| SCHEMBL9846206 | 0.65 | PDE3B (0.40) | PDE10AMAPTPDE3BPDE3AALDH1A1 | |
| SCHEMBL9846133 | 0.65 | PIK3CD (0.42) | CYP2C19MAPTALDH1A1GLAL3MBTL1 | |
| SCHEMBL9846224 | 0.65 | PARP1 (0.37) | CYP2C19MAPTPDE3BPDE3AALDH1A1 | |
| SCHEMBL9281338 | 0.64 | PIK3CD (0.44) | CYP2C19ALDH1A1GLA |
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 |