Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13908770 | 0.79 | EPHX1 (0.47) | EPHX1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL14773506 | 0.74 | — | — | |
| SCHEMBL5245672 | 0.74 | — | — | |
| SCHEMBL14067812 | 0.73 | CHRNB2 (0.46) | EPHX1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL12199649 | 0.73 | — | — | |
| SCHEMBL42229 | 0.72 | — | — | |
| Acetic Acid SCHEMBL2230428 | 0.71 | EPHX1 (0.48) | EPHX1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL13324721 | 0.71 | CHRNB2 (0.45) | EPHX1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL13324711 | 0.71 | — | — | |
| SCHEMBL7515118 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1796685-A1 | PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. | Medicure International Inc. (CA) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006058411-A1 | PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. | MEDICURE INTERNATIONAL INC. (CA) | 2006-06-08 | — | — | WO | disclosed |