Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ATP4A | P20648 | 3/20 | 0.34 |
| ▸ | ATP4B | P51164 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5427017 | 0.91 | TDP1 (0.38) | NPC1RAB9AALDH1A1SMPD1GAA | |
| SCHEMBL4720919 | 0.91 | TDP1 (0.38) | NPC1RAB9AALDH1A1SMPD1GAA | |
| SCHEMBL5428280 | 0.82 | NPC1 (0.42) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL4655532 | 0.82 | NPC1 (0.42) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL9099343 | 0.80 | NPC1 (0.39) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL14409900 | 0.77 | THRA (0.36) | NPC1RAB9AALDH1A1GAAMAPT | |
| SCHEMBL14409898 | 0.77 | MAPT (0.43) | NPC1RAB9AALDH1A1SMPD1MAPT | |
| SCHEMBL5423201 | 0.77 | MAPT (0.43) | NPC1RAB9AALDH1A1SMPD1MAPT | |
| SCHEMBL5421075 | 0.69 | THRB (0.39) | NPC1RAB9AALDH1A1SMPD1GAA | |
| SCHEMBL4657855 | 0.69 | THRB (0.40) | NPC1RAB9AALDH1A1GAAMAPT |
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 |