Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL23215983 | 0.82 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3KCNH2AKT1 | |
| SCHEMBL23216186 | 0.77 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL29745331 | 0.77 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL23215979 | 0.70 | HTR4 (0.43) | SLC6A4SLC6A2SLC6A3KCNH2HTR4 | |
| Trifluoroacetic Acid SCHEMBL23216334 | 0.67 | SLC6A2 (0.38) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL1936485 | 0.66 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL23215572 | 0.66 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3KCNH2HTR4 | |
| SCHEMBL23216521 | 0.66 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3KCNH2HTR4 | |
| SCHEMBL23215770 | 0.66 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3KCNH2HTR4 | |
| SCHEMBL27808050 | 0.65 | SLC6A4 (0.47) | SLC6A4SLC6A2SLC6A3 |
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-2021071806-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |