Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.53 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.47 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4739261 | 1.00 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL841438 | 1.00 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL10604006 | 1.00 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL4786617 | 1.00 | CXCR4 (0.53) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4641799 | 0.97 | CXCR4 (0.52) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL4786543 | 0.97 | CXCR4 (0.50) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL4743282 | 0.97 | CXCR4 (0.50) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL11520861 | 0.94 | CXCR4 (0.52) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL17733777 | 0.92 | CXCR4 (0.61) | CXCR4CXCL12HRH4HRH3ALDH1A1 | |
| SCHEMBL9417435 | 0.92 | CXCR4 (0.61) | CXCR4CXCL12HRH4HRH3ALDH1A1 |
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-2008089010-A1 | PREPARATION OF SECONDARY DIAMINES | ALBEMARLE CORPORATION (US) | 2008-07-24 | — | — | WO | disclosed |