Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2146423 | 1.00 | NPC1 (0.43) | NPC1HRH3KCNH2HRH1CXCR4 | |
| Hydrochloric Acid SCHEMBL2145849 | 0.98 | HRH3 (0.42) | NPC1HRH3KCNH2HRH1 | |
| SCHEMBL2145904 | 0.98 | HRH3 (0.41) | NPC1HRH3KCNH2HRH1CXCR4 | |
| SCHEMBL2145908 | 0.98 | HRH3 (0.41) | NPC1HRH3KCNH2HRH1CXCR4 | |
| SCHEMBL2146521 | 0.90 | NPC1 (0.55) | NPC1HRH3KCNH2HRH1CXCR4 | |
| SCHEMBL11533661 | 0.90 | NPC1 (0.55) | NPC1HRH3KCNH2HRH1CXCR4 | |
| Hydrochloric Acid SCHEMBL31400357 | 0.89 | NPC1 (0.53) | NPC1HRH3KCNH2HRH1CXCR4 | |
| SCHEMBL2146296 | 0.88 | NPC1 (0.52) | NPC1HRH3KCNH2CXCR4 | |
| SCHEMBL2146683 | 0.86 | NPC1 (0.39) | NPC1HRH3 | |
| SCHEMBL2146652 | 0.86 | NPC1 (0.39) | NPC1HRH3 |
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-2011088045-A1 | AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE | AMBIT BIOSCIENCES CORPORATION (US) | 2011-07-21 | — | — | WO | disclosed |