Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 16/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL11225066 | 0.90 | CYP1A2 (0.51) | CYP3A4CYP1A2POLBCYP2C19MAPK14 | |
| SCHEMBL23778422 | 0.89 | CYP3A4 (0.53) | CYP3A4ALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL1911436 | 0.87 | MAPK14 (0.41) | CYP3A4CYP1A2POLBCYP2C19MAPK14 | |
| SCHEMBL5975458 | 0.86 | MAPK14 (0.53) | CYP3A4CYP1A2POLBCYP2C19MAPK14 | |
| SCHEMBL29384453 | 0.86 | MAPK14 (0.53) | CYP3A4CYP1A2POLBCYP2C19MAPK14 | |
| SCHEMBL12782405 | 0.86 | MAPK14 (0.50) | CYP3A4CYP1A2POLBCYP2C19MAPK14 | |
| SCHEMBL29621846 | 0.86 | MAPK14 (0.50) | CYP3A4CYP1A2POLBCYP2C19MAPK14 | |
| SCHEMBL21626819 | 0.83 | BACE1 (0.51) | CYP3A4CYP1A2POLBCYP2C19MAPK14 | |
| SCHEMBL23778308 | 0.82 | TNKS (0.50) | CYP3A4CYP1A2CYP2C19MAPK14 | |
| SCHEMBL5978578 | 0.82 | MAPK14 (0.53) | CYP3A4CYP1A2POLBCYP2C19MAPK14 |
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-3526207-B1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LTD (GB) | 2021-09-08 | — | — | EP | disclosed |