Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 5/20 | 0.44 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6450294 | 0.97 | CXCR4 (0.47) | CXCR4NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL6450746 | 0.95 | HRH3 (0.48) | CXCR4NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL6446592 | 0.95 | HRH3 (0.48) | CXCR4NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL19023072 | 0.86 | NPC1 (0.60) | CXCR4NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL6449789 | 0.86 | EPHX2 (0.42) | GNAO1GNAI3GNAI1HRH3 | |
| SCHEMBL77295 | 0.82 | NPC1 (0.60) | CXCR4NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL79601 | 0.81 | NPC1 (0.63) | CXCR4NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL6446555 | 0.80 | GNAO1 (0.36) | CXCR4NPC1GNAO1GNAI3GNAI1 | |
| SCHEMBL2145904 | 0.80 | HRH3 (0.41) | CXCR4NPC1HRH3 | |
| SCHEMBL2145908 | 0.80 | HRH3 (0.41) | CXCR4NPC1HRH3 |
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 |