Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL19917628 | 0.94 | TRPA1 (0.36) | TRPA1NR3C1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19917535 | 0.92 | AR (0.42) | TRPA1NR3C1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19917611 | 0.90 | GABRA1 (0.37) | TRPA1NR3C1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19917599 | 0.90 | PDE9A (0.35) | TRPA1NR3C1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19917585 | 0.89 | TRPA1 (0.40) | TRPA1NR3C1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19917534 | 0.88 | AR (0.44) | TRPA1NR3C1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL25660430 | 0.88 | ALOX5AP (0.37) | NR3C1ALDH1A1ARPDE9APDE1C | |
| SCHEMBL19917536 | 0.88 | ALDH1A1 (0.39) | CYP1A2CYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL19917529 | 0.88 | PDE9A (0.34) | TRPA1NR3C1CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19917604 | 0.87 | GABRG2 (0.39) | NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10 |
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-3504200-B1 | HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES | CYNORA GMBH (DE) | 2021-01-20 | — | — | EP | disclosed |