Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19008196 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL15891572 | 0.74 | CYP2D6 (0.33) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15533538 | 0.71 | CYP2D6 (0.31) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8441271 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL15534431 | 0.69 | CYP2D6 (0.31) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10168566 | 0.67 | — | — | |
| SCHEMBL22751976 | 0.67 | SOS1 (0.31) | — | |
| SCHEMBL26458717 | 0.67 | SOS1 (0.31) | — | |
| SCHEMBL14420963 | 0.66 | — | — | |
| SCHEMBL17776650 | 0.66 | IRAK1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3390374-B1 | HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME (US) | 2020-08-26 | — | — | EP | disclosed |