Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | OGA | O60502 | 1/20 | 0.33 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL24690458 | 1.00 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690311 | 1.00 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690327 | 1.00 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL6472322 | 0.81 | CYP2D6 (0.54) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL5749041 | 0.79 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL10591185 | 0.79 | CHRNB2 (0.47) | OGA | |
| SCHEMBL24690310 | 0.79 | CHRNB2 (0.32) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690325 | 0.79 | CHRNB2 (0.32) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690326 | 0.79 | CHRNB2 (0.32) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 | |
| SCHEMBL24690317 | 0.79 | CHRNB2 (0.32) | CYP1A2CYP2D6ALOX15CYP2C19SLC1A3 |
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-2022251561-A2 | SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-12-01 | — | — | WO | disclosed |