Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 13/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL29782246 | 0.89 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL23230413 | 0.89 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL23215574 | 0.87 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3KDM1ACDK4 | |
| Trifluoroacetic Acid SCHEMBL23215571 | 0.87 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3KDM1ACDK4 | |
| Trifluoroacetic Acid SCHEMBL23216520 | 0.87 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3KDM1ACDK4 | |
| Trifluoroacetic Acid SCHEMBL23215173 | 0.79 | MEN1 (0.39) | SLC6A2SLC6A4SLC6A3KDM1A | |
| Trifluoroacetic Acid SCHEMBL23215611 | 0.79 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3KDM1A | |
| Trifluoroacetic Acid SCHEMBL23216568 | 0.79 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3KDM1A | |
| Trifluoroacetic Acid SCHEMBL23214859 | 0.79 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3KDM1A | |
| SCHEMBL23230794 | 0.74 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4 |
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 |