Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | 0.81 | CES2 (0.35) | PDPK1AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL2557213 | 0.81 | CES2 (0.41) | PDPK1AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL30371878 | 0.81 | CES2 (0.41) | PDPK1AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL14910052 | 0.81 | CES2 (0.41) | PDPK1AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL12285406 | 0.81 | CES2 (0.41) | PDPK1AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL30372083 | 0.81 | CES2 (0.41) | PDPK1AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL14923622 | 0.81 | CES2 (0.35) | PDPK1AKR1C3AKR1C2CES2CES1 | |
| SCHEMBL28980503 | 0.79 | AKR1B1 (0.33) | AKR1C3AKR1C2CES2CES1AKR1B1 | |
| SCHEMBL28980502 | 0.79 | AKR1B1 (0.33) | AKR1C3AKR1C2CES2CES1AKR1B1 | |
| SCHEMBL11489389 | 0.77 | SERPINH1 (0.38) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011132083-A2 | NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES | ACTAVIS GROUP PTC EHF (IS) | 2011-10-27 | — | — | WO | disclosed |