Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23778319 | 0.86 | HSD11B1 (0.45) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778339 | 0.86 | HSD11B1 (0.45) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778261 | 0.84 | CYP2D6 (0.53) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778331 | 0.83 | CCR5 (0.37) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778432 | 0.83 | CCR5 (0.37) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778224 | 0.83 | CYP2D6 (0.44) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778421 | 0.82 | CCR5 (0.47) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778250 | 0.81 | USP30 (0.39) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778384 | 0.80 | CYP2D6 (0.46) | CCR5KCNH2HRH3CYP2D6USP30 | |
| SCHEMBL23778307 | 0.80 | CYP2D6 (0.41) | KCNH2HRH3CYP2D6USP30CCR2 |
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 | claimed |