Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 19/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 17/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 17/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4747800 | 1.00 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL4747798 | 1.00 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL23938115 | 1.00 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL4747827 | 0.94 | SLC6A4 (0.47) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL4747865 | 0.94 | SLC6A4 (0.47) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL18968813 | 0.87 | — | — | |
| SCHEMBL10306161 | 0.87 | — | — | |
| SCHEMBL90594 | 0.87 | — | — | |
| SCHEMBL14139659 | 0.87 | — | — | |
| SCHEMBL90576 | 0.78 | — | — |
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-2021119265-A1 | ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-06-17 | — | — | WO | disclosed |