Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 8/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL13552299 | 0.75 | TRPA1 (0.36) | TRPA1CYP1A2ARHTTALDH1A1 | |
| SCHEMBL19194155 | 0.74 | POLB (0.30) | POLB | |
| SCHEMBL8285560 | 0.72 | THRB (0.57) | TRPA1CYP1A2HTTALDH1A1THRB | |
| SCHEMBL19473246 | 0.72 | POLB (0.31) | POLB | |
| SCHEMBL5146815 | 0.71 | ALDH1A1 (0.61) | CYP1A2HTTALDH1A1MAPTCYP3A4 | |
| SCHEMBL27557190 | 0.71 | ALDH1A1 (0.50) | CYP1A2HTTALDH1A1MAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL14603470 | 0.69 | GAA (0.49) | TRPA1CYP1A2HTTALDH1A1MAPT | |
| SCHEMBL18893492 | 0.68 | HTT (0.44) | TRPA1CYP1A2ARHTTALDH1A1 | |
| SCHEMBL6231601 | 0.67 | TRPA1 (0.41) | TRPA1CYP1A2THRBMAPK1 | |
| SCHEMBL6231746 | 0.67 | TRPA1 (0.56) | TRPA1CYP1A2ARALDH1A1MAPT |
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-3018123-B1 | AMIDE COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2023-05-10 | — | — | EP | disclosed |