Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1636493 | 0.96 | CXCR4 (0.46) | CXCR4TAAR1CYP2D6TSHRLMNA | |
| SCHEMBL1637426 | 0.87 | CXCR4 (0.49) | CXCR4TAAR1 | |
| SCHEMBL1205303 | 0.86 | CXCR4 (0.47) | CXCR4TAAR1HRH3CYP2D6TSHR | |
| SCHEMBL1636435 | 0.85 | CXCR4 (0.46) | CXCR4TAAR1HRH3CYP2D6TSHR | |
| SCHEMBL1206163 | 0.84 | CXCR4 (0.58) | CXCR4TAAR1CYP2D6TSHRLMNA | |
| SCHEMBL1637245 | 0.83 | CXCR4 (0.46) | CXCR4TAAR1HRH3CYP2D6TSHR | |
| SCHEMBL1292672 | 0.83 | CXCR4 (0.49) | CXCR4TAAR1CYP2D6TSHRLMNA | |
| SCHEMBL1637275 | 0.83 | CXCR4 (0.41) | CXCR4TAAR1HRH3CYP2D6TSHR | |
| SCHEMBL1638357 | 0.83 | CXCR4 (0.49) | CXCR4TAAR1CYP2D6TSHRLMNA | |
| SCHEMBL1637975 | 0.83 | CXCR4 (0.51) | CXCR4TAAR1CYP2D6TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1724263-B1 | BASIC AMINE COMPOUND AND USE THEREOF | KUREHA CORP (JP) | 2014-03-05 | — | — | EP | disclosed |