Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.42 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21821294 | 0.90 | ITGA5 (0.42) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL21821303 | 0.86 | ITGA5 (0.43) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL21821320 | 0.85 | ITGA5 (0.42) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL21821308 | 0.84 | ITGA5 (0.43) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL29462407 | 0.84 | ITGA5 (0.43) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL19283637 | 0.84 | ITGA5 (0.47) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL19283618 | 0.83 | ITGA5 (0.44) | ITGA5ITGB6ITGB8NPC1HTT | |
| SCHEMBL20743128 | 0.83 | ITGA5 (0.45) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL30645012 | 0.83 | ITGA5 (0.45) | ITGA5ITGB6ITGB8HSD17B10NPC1 | |
| SCHEMBL21821295 | 0.83 | ITGA5 (0.47) | ITGA5ITGB6ITGB8HSD17B10NPC1 |
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-2017144183-A1 | NOVEL POTASSIUM CHANNEL INHIBITORS | ACESION PHARMA APS (DK) | 2017-08-31 | — | — | WO | disclosed |