Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20639088 | 0.87 | NPC1 (0.49) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL16398592 | 0.86 | — | — | |
| SCHEMBL16398010 | 0.80 | SLC6A2 (0.46) | — | |
| SCHEMBL21133084 | 0.76 | MEN1 (0.67) | SMN1; SMN2NPC1RAB9AKCNK3KCNK9 | |
| SCHEMBL16583928 | 0.76 | SMN1; SMN2 (0.66) | SMN1; SMN2NPC1RAB9AKCNK3KCNK9 | |
| SCHEMBL17791093 | 0.74 | — | — | |
| SCHEMBL20639184 | 0.73 | SCN8A (0.50) | — | |
| SCHEMBL20652887 | 0.73 | NPC1 (0.45) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL19563646 | 0.73 | — | — | |
| SCHEMBL29918926 | 0.72 | — | — |
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-2019014352-A1 | CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-01-17 | — | — | WO | disclosed |