Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.75 |
| ▸ | ITGAV | P06756 | 6/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.53 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.49 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.49 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13355309 | 0.89 | CXCR4 (0.72) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355334 | 0.89 | CXCR4 (0.72) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355210 | 0.88 | CXCR4 (0.78) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355206 | 0.87 | CXCR4 (0.76) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355310 | 0.87 | CXCR4 (0.80) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355209 | 0.87 | CXCR4 (0.76) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355316 | 0.87 | CXCR4 (0.76) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355214 | 0.86 | CXCR4 (0.75) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355335 | 0.86 | CXCR4 (0.72) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355361 | 0.86 | CXCR4 (0.69) | CXCR4ITGAVITGB3ITGB6ITGB5 |
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-2010057101-A2 | COMPOUNDS USEFUL AS HIV BLOCKERS | SCHERING CORPORATION (US) | 2010-05-20 | — | — | WO | disclosed |