Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 4/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 2/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23798647 | 0.87 | USP30 (0.34) | CYP2D6IRAK4KDM1ASLC6A5HRH4 | |
| SCHEMBL23778306 | 0.86 | CYP2D6 (0.44) | CYP2D6ACKR3SLC6A5CCR2FFAR4 | |
| SCHEMBL23799160 | 0.83 | CYP2D6 (0.56) | CYP2D6KDM1ASLC6A5 | |
| SCHEMBL23798649 | 0.83 | CCR2 (0.41) | CYP2D6IRAK4KDM1ACCR2HRH3 | |
| SCHEMBL20074569 | 0.82 | CYP2D6 (0.40) | CYP2D6ACKR3SLC6A5CCR2HRH3 | |
| SCHEMBL23798594 | 0.77 | CYP2D6 (0.35) | CYP2D6IRAK4KDM1AHRH4CCR2 | |
| SCHEMBL23798687 | 0.77 | CYP2D6 (0.48) | CYP2D6KDM1ACCR2 | |
| SCHEMBL23798665 | 0.76 | CYP2D6 (0.53) | CYP2D6KDM1A | |
| SCHEMBL23778248 | 0.76 | CYP2D6 (0.43) | CYP2D6ACKR3HRH3FFAR4 | |
| SCHEMBL11920963 | 0.75 | FFAR4 (0.35) | FGFR1FGFR2FGFR4FGFR3FFAR4 |
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 |