Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 11/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20073798 | 0.89 | CHRM1 (0.41) | CCR2KCNH2CHRM1 | |
| SCHEMBL23798594 | 0.88 | CYP2D6 (0.35) | CYP2D6CCR2HRH3KCNH2 | |
| SCHEMBL23778371 | 0.85 | CCR2 (0.48) | CYP2D6CCR2KCNH2CHRM1USP30 | |
| SCHEMBL23778355 | 0.81 | CCR2 (0.40) | CYP2D6CCR2KCNH2USP30 | |
| SCHEMBL23778452 | 0.81 | CCR2 (0.40) | CYP2D6CCR2KCNH2USP30 | |
| SCHEMBL23778324 | 0.81 | CYP2D6 (0.48) | CYP2D6CCR2KCNH2CHRM1USP30 | |
| SCHEMBL23778375 | 0.81 | CYP2D6 (0.45) | CYP2D6CCR2HRH3KCNH2CHRM1 | |
| SCHEMBL23778286 | 0.80 | CCR5 (0.41) | CYP2D6CCR2HRH3KCNH2USP30 | |
| SCHEMBL23778306 | 0.79 | CYP2D6 (0.44) | CYP2D6CCR2 | |
| SCHEMBL20886049 | 0.79 | SLC6A5 (0.37) | CYP2D6CCR2HRH3USP30 |
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 |