Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.55 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8464810 | 0.99 | CYP2A6 (0.56) | CYP2A6KCNA3CYP3A4ALOX15KDM4E | |
| Hydrogen Sulfide SCHEMBL6868834 | 0.85 | CYP2A6 (0.49) | CYP2A6KCNA3CYP3A4ALOX15KDM4E | |
| SCHEMBL12986005 | 0.81 | KCNA3 (0.51) | KCNA3ALOX15ALDH1A1L3MBTL1MAOB | |
| SCHEMBL30751952 | 0.79 | MAOA (0.40) | CYP2A6KCNA3KDM4EALDH1A1DRD2 | |
| SCHEMBL16904155 | 0.79 | KDM4E (0.43) | CYP2A6CYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL3928046 | 0.78 | KCNA3 (0.46) | KCNA3MAOBDRD2DRD4DRD3 | |
| SCHEMBL18795081 | 0.77 | CDC14B (0.46) | CYP2A6CYP3A4KDM4EALDH1A1GLA | |
| SCHEMBL2987667 | 0.76 | AR (0.40) | KDM4EALDH1A1GLAHPGDHSD17B10 | |
| SCHEMBL29706003 | 0.76 | MEN1 (0.42) | DRD2DRD4DRD3HTR5A | |
| SCHEMBL203899 | 0.76 | MEN1 (0.42) | DRD2DRD4DRD3HTR5A |
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-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |