Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1753500 | 0.80 | CYP3A4 (0.37) | USP2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL1753720 | 0.77 | CYP3A4 (0.42) | USP2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL16573817 | 0.76 | — | — | |
| SCHEMBL14908045 | 0.75 | USP2 (0.34) | USP2CYP3A4CYP2D6TSHR | |
| SCHEMBL1753694 | 0.75 | USP2 (0.39) | USP2CYP3A4ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL17012735 | 0.74 | USP2 (0.32) | USP2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL17284505 | 0.74 | USP2 (0.32) | USP2CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL20218197 | 0.74 | USP2 (0.32) | USP2CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL26750818 | 0.74 | USP2 (0.32) | USP2CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL22317903 | 0.72 | USP2 (0.40) | USP2CYP3A4ALDH1A1CYP2D6CYP2C19 |
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 |