Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 5/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16136456 | 0.91 | IDO1 (0.37) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL27538454 | 0.89 | CA1 (0.37) | ALDH1A1CES1PPARGPPARATDP1 | |
| SCHEMBL705121 | 0.75 | MEN1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL707593 | 0.72 | LTA4H (0.42) | ALDH1A1TSHRTDP1 | |
| SCHEMBL713132 | 0.71 | RELA (0.33) | ALDH1A1TSHR | |
| SCHEMBL28519614 | 0.71 | TRPA1 (0.36) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL703504 | 0.70 | CA1 (0.40) | ALDH1A1TDP1 | |
| SCHEMBL3681371 | 0.67 | TRPA1 (0.38) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL10516808 | 0.66 | MAPK1 (0.37) | ALDH1A1 | |
| SCHEMBL27884138 | 0.66 | NPC1 (0.56) | TRPA1ALDH1A1TSHRPPARG |
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-1813611-B1 | 1-SUBSTITUTED-3- BETA-D-GLYCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME | KISSEI PHARMACEUTICAL (JP) | 2014-10-01 | — | — | EP | disclosed |