Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATP4A | P20648 | 3/20 | 0.35 |
| ▸ | ATP4B | P51164 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.35 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4655532 | 0.92 | NPC1 (0.42) | NPC1ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL5428280 | 0.92 | NPC1 (0.42) | NPC1ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL4720919 | 0.82 | TDP1 (0.38) | NPC1ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL5427017 | 0.82 | TDP1 (0.38) | NPC1ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL4656445 | 0.82 | ATP4A (0.49) | NPC1RAB9AMAPTLMNATSHR | |
| SCHEMBL9101339 | 0.80 | NPC1 (0.36) | NPC1ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL5421075 | 0.76 | THRB (0.39) | NPC1ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL4657855 | 0.74 | THRB (0.40) | NPC1ALDH1A1RAB9AGAAMAPT | |
| SCHEMBL4656737 | 0.74 | ATP4A (0.50) | NPC1RAB9AGAAMAPTLMNA | |
| SCHEMBL4760249 | 0.73 | L3MBTL1 (0.44) | NPC1ALDH1A1RAB9AMAPTLMNA |
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-2460800-A1 | Substituted aminothiazole derivatives with anti-HCV activity | Achillion Pharmaceuticals, Inc. (US) | 2012-06-06 | — | — | EP | claimed |