Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | TEAD1 | P28347 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28470051 | 0.85 | CYP1A2 (0.39) | ALDH1A1CYP1A2FFAR1AKR1C3AKR1C2 | |
| SCHEMBL28224167 | 0.84 | CES2 (0.39) | TGM2TEAD1CES2ALDH1A1AKR1C3 | |
| SCHEMBL7252884 | 0.81 | HDAC3 (0.42) | TGM2CES2CES1ALDH1A1 | |
| SCHEMBL29090926 | 0.80 | TEAD1 (0.48) | TGM2TEAD1CES2CES1NR4A1 | |
| SCHEMBL4749899 | 0.80 | CES2 (0.47) | CES2CES1NR4A1NR4A2NR4A3 | |
| SCHEMBL7472615 | 0.80 | CES2 (0.47) | CES2CES1NR4A1NR4A2NR4A3 | |
| SCHEMBL8028836 | 0.80 | ESR1 (0.43) | ALDH1A1CYP1A2 | |
| SCHEMBL28468309 | 0.80 | TGM2 (0.42) | TGM2CES2CES1ALDH1A1 | |
| SCHEMBL28469749 | 0.78 | BRD4 (0.50) | CYP1A2 | |
| SCHEMBL8040582 | 0.75 | MAPT (0.48) | TGM2CES2CES1ALDH1A1ACP3 |
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-0440324-B1 | Substituted beta-diketones and their use in the treatment of inflammatory bowel disease | ORION YHTYMAE OY (FI) | 2000-04-12 | — | — | EP | claimed |