Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.32 |
| ▸ | GRM8 | O00222 | 1/20 | 0.31 |
| ▸ | GRM6 | O15303 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | VCP | P55072 | 1/20 | 0.30 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL14910192 | 1.00 | CES2 (0.35) | CES2CES1ALDH3A1ALDH1A1HIF1A | |
| SCHEMBL14910052 | 0.81 | CES2 (0.41) | CES2CES1ALDH3A1ALDH1A1HIF1A | |
| SCHEMBL30372083 | 0.81 | CES2 (0.41) | CES2CES1ALDH3A1ALDH1A1HIF1A | |
| SCHEMBL2557213 | 0.81 | CES2 (0.41) | CES2CES1ALDH3A1ALDH1A1HIF1A | |
| SCHEMBL30371878 | 0.81 | CES2 (0.41) | CES2CES1ALDH3A1ALDH1A1HIF1A | |
| SCHEMBL12285406 | 0.81 | CES2 (0.41) | CES2CES1ALDH3A1ALDH1A1HIF1A | |
| SCHEMBL12286385 | 0.81 | PDPK1 (0.38) | CES2CES1ALDH3A1ALDH1A1HIF1A | |
| SCHEMBL28980502 | 0.73 | AKR1B1 (0.33) | CES2CES1AKR1C3AKR1C2VCAM1 | |
| SCHEMBL28980526 | 0.73 | SIGMAR1 (0.36) | CES2CES1ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL28980525 | 0.73 | SIGMAR1 (0.36) | CES2CES1ALDH1A1AKR1C3AKR1C2 |
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-2589587-A1 | Synthesis of nitrogen substituted cyclopropanes | Chemo Ibérica, S.A. (ES) | 2013-05-08 | — | — | EP | disclosed |
| EP-2589587-A1 | Synthesis of nitrogen substituted cyclopropanes | Chemo Ibérica, S.A. (ES) | 2013-05-08 | — | — | EP | disclosed |