Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.52 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11523136 | 0.94 | CXCR4 (0.57) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL17733777 | 0.91 | CXCR4 (0.61) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL9417435 | 0.91 | CXCR4 (0.61) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| Hydrochloric Acid SCHEMBL9714202 | 0.88 | CXCR4 (0.59) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL11520861 | 0.88 | CXCR4 (0.52) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL15670916 | 0.87 | CXCR4 (0.45) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL4745523 | 0.86 | CXCR4 (0.62) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL4743282 | 0.85 | CXCR4 (0.50) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL4786543 | 0.85 | CXCR4 (0.50) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL14968151 | 0.84 | — | — |
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 |