Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122627 | 0.85 | DNM2 (0.34) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL17816263 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL19068905 | 0.79 | CYP1A2 (0.35) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL21091671 | 0.75 | CNR2 (0.34) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL19190828 | 0.73 | CYP1A2 (0.37) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL7717522 | 0.72 | CYP1A2 (0.50) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL20122617 | 0.71 | KMT2A (0.37) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL16454357 | 0.70 | KMT2A (0.36) | CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL20927051 | 0.69 | — | — | |
| SCHEMBL18857395 | 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 1 patent. 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 |