Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2942138 | 0.85 | CES2 (0.38) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2948270 | 0.85 | CES2 (0.38) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL4352918 | 0.84 | CES2 (0.45) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2942727 | 0.81 | CES2 (0.34) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2946482 | 0.80 | CES2 (0.40) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2942730 | 0.79 | MEN1 (0.33) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2946683 | 0.79 | CES2 (0.38) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2942146 | 0.78 | CES2 (0.41) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2943148 | 0.78 | CES2 (0.43) | CES2CES1ALDH1A1LMNAGAA | |
| SCHEMBL2947177 | 0.78 | CES2 (0.43) | CES2CES1ALDH1A1LMNAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1752452-A9 | PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT | Astellas Pharma Inc. (JP) | 2007-12-12 | — | — | EP | disclosed |
| EP-1752452-A1 | PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT | Astellas Pharma Inc. (JP) | 2007-02-14 | — | — | EP | disclosed |