Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL3364448 | 0.89 | BRD4 (0.47) | BRD4SCN9ASCN1ASCN2ASCN3A | |
| SCHEMBL3368049 | 0.85 | DHODH (0.41) | SCN9A | |
| SCHEMBL3365087 | 0.80 | BRD4 (0.43) | BRD4SCN9A | |
| SCHEMBL3365869 | 0.80 | CYP3A4 (0.40) | BRD4 | |
| SCHEMBL3362827 | 0.77 | GABRG2 (0.50) | — | |
| SCHEMBL3365574 | 0.77 | BRD4 (0.47) | BRD4 | |
| SCHEMBL3364893 | 0.75 | SMN1; SMN2 (0.40) | SCN9A | |
| SCHEMBL3364109 | 0.73 | GABRG2 (0.41) | — | |
| SCHEMBL3367536 | 0.72 | CRHR1 (0.49) | — | |
| SCHEMBL3366144 | 0.72 | ALDH1A1 (0.39) | — |
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-1656353-B1 | GABANERGIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | claimed |