Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 12/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17202009 | 0.83 | TRPA1 (0.49) | TRPA1PDE10AHDAC1HDAC6 | |
| SCHEMBL17205369 | 0.83 | TRPA1 (0.49) | TRPA1PDE10AHDAC1HDAC6 | |
| SCHEMBL17210340 | 0.83 | TRPA1 (0.49) | TRPA1PDE10AHDAC1HDAC6 | |
| SCHEMBL21861748 | 0.82 | TRPA1 (0.66) | TRPA1 | |
| SCHEMBL23073724 | 0.82 | TRPA1 (0.57) | TRPA1PIK3C3 | |
| SCHEMBL17210351 | 0.81 | TRPA1 (0.43) | TRPA1PIK3C3PDE10AHDAC1HDAC6 | |
| SCHEMBL23073661 | 0.77 | CYP1A2 (0.45) | TRPA1CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL17210348 | 0.73 | TRPA1 (0.74) | TRPA1 | |
| SCHEMBL23073723 | 0.72 | TRPA1 (1.00) | TRPA1 | |
| SCHEMBL21391763 | 0.72 | TRPA1 (1.00) | TRPA1 |
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-3134410-B1 | INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL | LILLY CO ELI (US) | 2021-03-10 | — | — | EP | disclosed |