Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 10/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23778452 | 1.00 | CCR2 (0.40) | CCR2CYP2D6PIK3CAPIK3CDPIK3CB | |
| SCHEMBL23797994 | 0.89 | NOS3 (0.42) | CCR2KCNH2USP30NOS3NOS1 | |
| SCHEMBL20073790 | 0.89 | NOS3 (0.42) | CCR2KCNH2USP30NOS3NOS1 | |
| SCHEMBL20073806 | 0.89 | NOS3 (0.42) | CCR2KCNH2USP30NOS3NOS1 | |
| SCHEMBL23778371 | 0.86 | CCR2 (0.48) | CCR2CYP2D6KCNH2USP30 | |
| SCHEMBL23778324 | 0.82 | CYP2D6 (0.48) | CCR2CYP2D6KCNH2USP30 | |
| SCHEMBL23778307 | 0.81 | CYP2D6 (0.41) | CCR2CYP2D6KCNH2USP30 | |
| SCHEMBL23778331 | 0.81 | CCR5 (0.37) | CCR2CYP2D6PIK3CAPIK3CDPIK3CB | |
| SCHEMBL23778432 | 0.81 | CCR5 (0.37) | CCR2CYP2D6PIK3CAPIK3CDPIK3CB | |
| SCHEMBL23778306 | 0.80 | CYP2D6 (0.44) | CCR2CYP2D6 |
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 |