Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL159581 | 0.84 | MAPK1 (0.41) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL59852 | 0.84 | CYP3A4 (0.48) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL109084 | 0.84 | CYP3A4 (0.48) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| Benzene SCHEMBL28982643 | 0.80 | CYP3A4 (0.45) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL7002811 | 0.78 | CYP3A4 (0.44) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL28861481 | 0.76 | ACHE (0.36) | RAPGEF4ACHEFFAR4 | |
| Isothiocyanate SCHEMBL3612486 | 0.75 | MAPK1 (0.35) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL5444503 | 0.75 | MAPK1 (0.44) | CYP3A4TRPA1MAPK1TDP1RAPGEF4 | |
| SCHEMBL7921988 | 0.75 | MAPK1 (0.44) | CYP3A4TRPA1MAPK1TDP1RAPGEF4 | |
| SCHEMBL16368740 | 0.75 | CYP3A4 (0.38) | CYP3A4TRPA1MAPK1TDP1RAPGEF4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090216006-A1 | COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION | XU HUI | 2009-08-27 | — | — | US | claimed |
| EP-4460492-A1 | COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE | (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) | 2024-11-13 | — | — | EP | disclosed |
| WO-2023131677-A1 | COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2023-07-13 | — | — | WO | disclosed |
| WO-2023131677-A1 | COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2023-07-13 | — | — | WO | disclosed |
| US-20090216006-A1 | COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION | XU HUI | 2009-08-27 | — | — | US | disclosed |