Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.52 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.52 |
| ▸ | ITGAL | P20701 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | ADK | P55263 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Phenyl Propionic Acid SCHEMBL27592230 | 0.88 | KEAP1 (0.61) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL8692212 | 0.82 | TRPA1 (0.71) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL15552 | 0.82 | TRPA1 (0.71) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28064106 | 0.82 | TRPA1 (0.71) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL14576777 | 0.80 | TRPA1 (0.68) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL14576595 | 0.80 | TRPA1 (0.68) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL14576309 | 0.80 | TRPA1 (0.68) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Naphthalene SCHEMBL29066893 | 0.80 | TRPA1 (0.68) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL14576591 | 0.80 | TRPA1 (0.68) | ALDH1A1TRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL14576774 | 0.80 | TRPA1 (0.68) | ALDH1A1TRPA1CA1CA2ITGB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108558794-A | A kind of preparation method for reacting synthesis light-sensitive compound according to Claisen-Schmidt | 北京化工大学 | 2018-09-21 | — | — | CN | disclosed |