Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL11533661 | 0.98 | NPC1 (0.55) | NPC1CHRM2CHRM1CHRM3SLC6A2 | |
| SCHEMBL2146521 | 0.98 | NPC1 (0.55) | NPC1CHRM2CHRM1CHRM3SLC6A2 | |
| Hydrochloric Acid SCHEMBL31400357 | 0.97 | NPC1 (0.53) | NPC1CHRM2CHRM1CHRM3SLC6A2 | |
| SCHEMBL2145904 | 0.90 | HRH3 (0.41) | NPC1KCNH2HRH3CXCR4 | |
| SCHEMBL2145908 | 0.90 | HRH3 (0.41) | NPC1KCNH2HRH3CXCR4 | |
| SCHEMBL77295 | 0.89 | NPC1 (0.60) | NPC1HRH3CXCR4MCHR1LTA4H | |
| SCHEMBL2146367 | 0.88 | NPC1 (0.43) | NPC1KCNH2HRH3CXCR4 | |
| SCHEMBL2146423 | 0.88 | NPC1 (0.43) | NPC1KCNH2HRH3CXCR4 | |
| SCHEMBL79601 | 0.87 | NPC1 (0.63) | NPC1KCNH2HRH3CXCR4MCHR1 | |
| Hydrochloric Acid SCHEMBL2145849 | 0.87 | HRH3 (0.42) | NPC1SLC6A2KCNH2HRH3 |
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 |