Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL10375441 | 0.78 | KCNN3 (0.39) | CXCR4 | |
| SCHEMBL8783612 | 0.75 | AURKA (0.33) | — | |
| SCHEMBL10377967 | 0.73 | NPC1 (0.41) | CYP1A2 | |
| SCHEMBL10377964 | 0.73 | NPC1 (0.32) | CXCR4CYP2D6 | |
| SCHEMBL8782954 | 0.72 | CXCR4 (0.38) | CXCR4CYP2D6CYP1A2 | |
| SCHEMBL9770490 | 0.72 | CXCR4 (0.38) | CXCR4CYP2D6CYP1A2 | |
| SCHEMBL10377515 | 0.72 | FABP6 (0.33) | CXCR4 | |
| SCHEMBL10375694 | 0.71 | CXCR4 (0.31) | CXCR4 | |
| SCHEMBL10375695 | 0.71 | MPO (0.34) | — | |
| SCHEMBL9770594 | 0.71 | MCL1 (0.44) | CXCR4CYP2D6 |
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-5001131-A | Pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1991-03-19 | — | — | US | disclosed |