Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CCR2 | P41597 | 6/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL20073806 | 1.00 | NOS3 (0.42) | NOS3NOS1NOS2CHRM1CCR2 | |
| SCHEMBL20073790 | 1.00 | NOS3 (0.42) | NOS3NOS1NOS2CHRM1CCR2 | |
| SCHEMBL23778452 | 0.89 | CCR2 (0.40) | NOS3NOS1NOS2CCR2USP30 | |
| SCHEMBL23778355 | 0.89 | CCR2 (0.40) | NOS3NOS1NOS2CCR2USP30 | |
| SCHEMBL20073794 | 0.89 | CCR2 (0.46) | NOS2CHRM1CCR2PDE10A | |
| SCHEMBL20073795 | 0.89 | CCR2 (0.46) | NOS2CHRM1CCR2PDE10A | |
| SCHEMBL20073792 | 0.84 | CCR2 (0.42) | CHRM1CCR2KCNH2 | |
| SCHEMBL20075039 | 0.83 | SLC6A5 (0.39) | CHRM1CCR2USP30 | |
| SCHEMBL20066219 | 0.83 | SLC6A5 (0.39) | CHRM1CCR2USP30 | |
| SCHEMBL20074569 | 0.83 | CYP2D6 (0.40) | CHRM1CCR2USP30 |
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 |