Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26337669 | 0.94 | CXCR4 (0.52) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| SCHEMBL4350910 | 0.85 | CXCR4 (0.42) | CXCR4CYP2D6 | |
| SCHEMBL3310571 | 0.84 | CXCR4 (0.46) | CXCR4CYP2D6 | |
| SCHEMBL14037800 | 0.84 | CXCR4 (0.46) | CXCR4CYP2D6 | |
| SCHEMBL30584967 | 0.84 | CXCR4 (0.46) | CXCR4CYP2D6 | |
| SCHEMBL3950796 | 0.83 | HDAC1 (0.43) | CXCR4CYP2D6 | |
| SCHEMBL1698247 | 0.83 | CXCR4 (0.40) | CXCR4CYP2D6 | |
| SCHEMBL14071365 | 0.82 | CYP2D6 (0.42) | CXCR4CYP2D6DRD2 | |
| SCHEMBL3948666 | 0.82 | HDAC1 (0.40) | CXCR4CYP2D6 | |
| SCHEMBL3952160 | 0.82 | HDAC1 (0.40) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0244201-B1 | 3-HYDROXYPYRIDINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-09-26 | — | — | EP | disclosed |
| US-4863933-A | HISTAMINE H1 ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1989-09-05 | — | — | US | disclosed |
| US-4764519-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1988-08-16 | — | — | US | disclosed |
| US-4727076-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LTD. (GB) | 1988-02-23 | — | — | US | disclosed |
| EP-0244201-A2 | 3-Hydroxypyridines | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-11-04 | — | — | EP | disclosed |
| EP-0234707-A1 | Pyridine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-09-02 | — | — | EP | disclosed |