Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL22866468 | 0.82 | CYP3A4 (0.30) | CYP3A4CYP2C9CYP2C19GPR88 | |
| SCHEMBL21606227 | 0.79 | GPR88 (0.34) | CYP2C19GPR88 | |
| SCHEMBL12315743 | 0.74 | HDAC3 (0.33) | GPR88DPP4 | |
| SCHEMBL20350165 | 0.74 | HDAC3 (0.33) | GPR88DPP4 | |
| SCHEMBL20462576 | 0.71 | L3MBTL1 (0.32) | — | |
| SCHEMBL8393297 | 0.71 | HDAC3 (0.32) | GPR88DPP4 | |
| SCHEMBL8446630 | 0.71 | HDAC3 (0.32) | GPR88DPP4 | |
| SCHEMBL16144325 | 0.70 | FFAR3 (0.31) | — | |
| SCHEMBL1694491 | 0.68 | — | — | |
| SCHEMBL9963456 | 0.68 | DPP4 (0.41) | CYP3A4CYP2C9CYP2C19DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019243851-A1 | BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR | HEPTARES THERAPEUTICS LIMITED (GB) | 2019-12-26 | — | — | WO | disclosed |