Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | GNAO1 | P09471 | 5/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6450746 | 1.00 | HRH3 (0.48) | HRH3NPC1CXCR4GNAO1GNAI3 | |
| SCHEMBL6450294 | 0.98 | CXCR4 (0.47) | HRH3NPC1CXCR4GNAO1GNAI3 | |
| SCHEMBL6446579 | 0.95 | CXCR4 (0.47) | HRH3NPC1CXCR4GNAO1GNAI3 | |
| SCHEMBL79601 | 0.86 | NPC1 (0.63) | HRH3NPC1CXCR4GNAO1GNAI3 | |
| SCHEMBL77295 | 0.84 | NPC1 (0.60) | HRH3NPC1CXCR4GNAO1GNAI3 | |
| SCHEMBL6449789 | 0.84 | EPHX2 (0.42) | HRH3GNAO1GNAI3GNAI1 | |
| SCHEMBL2146423 | 0.84 | NPC1 (0.43) | HRH3NPC1CXCR4 | |
| SCHEMBL2146367 | 0.84 | NPC1 (0.43) | HRH3NPC1CXCR4 | |
| Hydrochloric Acid SCHEMBL2145849 | 0.83 | HRH3 (0.42) | HRH3NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL2145904 | 0.82 | HRH3 (0.41) | HRH3NPC1CXCR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6964974-B2 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-11-15 | — | — | US | disclosed |