Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3164224 | 0.87 | NPC1 (0.44) | NPC1ALDH1A1RAB9AMAPTGNAI3 | |
| SCHEMBL5076729 | 0.84 | MAPT (0.36) | NPC1ALDH1A1ITGB3ITGA2BMAPT | |
| SCHEMBL17064819 | 0.84 | MEN1 (0.35) | NPC1ALDH1A1RAB9AMAPTMEN1 | |
| SCHEMBL2547405 | 0.83 | GPR119 (0.47) | ALDH1A1 | |
| SCHEMBL25062674 | 0.80 | ALDH1A1 (0.42) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL26696271 | 0.80 | MEN1 (0.39) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL10154212 | 0.79 | ALDH1A1 (0.44) | NPC1ALDH1A1RAB9AMAPTMEN1 | |
| SCHEMBL21856528 | 0.79 | MAPT (0.34) | ALDH1A1ITGB3ITGA2BMAPT | |
| SCHEMBL21777330 | 0.79 | MAPT (0.34) | ALDH1A1ITGB3ITGA2BMAPT | |
| SCHEMBL23826388 | 0.79 | MAPT (0.34) | ALDH1A1ITGB3ITGA2BMAPT |
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-2563765-A1 | BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. | Takeda Pharmaceutical Company Limited (JP) | 2013-03-06 | — | — | EP | disclosed |