Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2813183 | 0.80 | TRPA1 (0.48) | TRPA1ESR1ESR2TP53TDP1 | |
| SCHEMBL27657764 | 0.75 | APP (0.46) | TP53ALOX15HSD17B10ALDH1A1GAA | |
| SCHEMBL13981332 | 0.74 | TRPA1 (0.36) | TRPA1ESR1ESR2TP53TDP1 | |
| SCHEMBL7056620 | 0.74 | AR (0.47) | TRPA1ESR1ESR2ATMAR | |
| SCHEMBL29457565 | 0.74 | TRPA1 (0.53) | TRPA1ESR1ESR2TP53TDP1 | |
| SCHEMBL68013 | 0.74 | TRPA1 (0.53) | TRPA1ESR1ESR2TP53TDP1 | |
| SCHEMBL17923715 | 0.73 | — | — | |
| SCHEMBL19012021 | 0.71 | GRM5 (0.45) | TDP1ALDH1A1MEN1MAPTKMT2A | |
| Methane SCHEMBL27535749 | 0.71 | TRPA1 (0.50) | TRPA1ESR1ESR2TP53TDP1 | |
| SCHEMBL18080897 | 0.70 | SRD5A2 (0.47) | TP53ALDH1A1GAALMNAMAPT |
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-3036307-B1 | ALKINYL-TOLANES, LIQUID-CRYSTAL MIXTURES CONTAINING THEM AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY | MERCK PATENT GMBH (DE) | 2017-06-21 | — | — | EP | disclosed |