Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ELOVL1 | Q9BW60 | 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 | |
|---|---|---|---|---|
| SCHEMBL21091671 | 0.89 | CNR2 (0.34) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL20122649 | 0.87 | KMT2A (0.33) | — | |
| SCHEMBL20122655 | 0.79 | CYP1A2 (0.37) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL17816263 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL20122617 | 0.72 | KMT2A (0.37) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL18737524 | 0.71 | — | — | |
| SCHEMBL20987610 | 0.71 | CNR2 (0.33) | CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL19190828 | 0.70 | CYP1A2 (0.37) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL7717522 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL19726948 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9963445-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2018-05-08 | — | — | US | disclosed |
| US-9694016-B2 | Biaryl amide compounds as kinase inhibitors | NOVARTIS AG (CH) | 2017-07-04 | — | — | US | disclosed |