Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.59 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.55 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL70784 | 0.84 | CYP2A6 (0.55) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL2514420 | 0.83 | ALDH1A1 (0.65) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13645995 | 0.83 | CYP2A6 (0.64) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL11295939 | 0.81 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13339137 | 0.79 | CYP2A6 (0.59) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13645975 | 0.79 | CYP2A6 (0.59) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL1051080 | 0.79 | CYP2A6 (0.59) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL10892510 | 0.78 | CYP2A6 (0.57) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL12201383 | 0.78 | ALDH1A1 (0.59) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| Dimethylamine SCHEMBL7601785 | 0.78 | ALDH1A1 (0.59) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 |
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-4513142-A | Preparation of cationic methine dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-23 | — | — | US | disclosed |