Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11481049 | 0.84 | NAPRT (0.41) | ROCK2ROCK1CYP3A4CYP2C19NAPRT | |
| SCHEMBL25660369 | 0.82 | HSD17B10 (0.47) | ROCK2ROCK1CYP3A4CYP2C19NAPRT | |
| SCHEMBL2178492 | 0.82 | NAPRT (0.39) | ROCK2ROCK1CYP3A4CYP2C19NAPRT | |
| SCHEMBL2178495 | 0.82 | NAPRT (0.39) | ROCK2ROCK1CYP3A4CYP2C19NAPRT | |
| Hydrochloric Acid SCHEMBL15269736 | 0.80 | HSD17B10 (0.46) | ROCK2ROCK1CYP2C19NAPRTALDH1A1 | |
| SCHEMBL10501729 | 0.79 | GRM8 (0.39) | ROCK2ROCK1CYP3A4CYP2C19TP53 | |
| SCHEMBL10824408 | 0.79 | CYP3A4 (0.43) | CYP3A4CYP2C19TP53NAPRTALDH1A1 | |
| SCHEMBL11879035 | 0.77 | CYP19A1 (0.49) | ROCK2ROCK1CYP3A4CYP2C19TP53 | |
| SCHEMBL28679199 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C19TP53NAPRTALDH1A1 | |
| SCHEMBL7269087 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C19TP53NAPRTALDH1A1 |
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-2021124279-A1 | COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS | NUEVOLUTION A/S (DK) | 2021-06-24 | — | — | WO | disclosed |