Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 4/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28644764 | 1.00 | PKM (0.42) | PKMCYP19A1ALDH1A1HSD11B1DPP4 | |
| SCHEMBL4368869 | 0.83 | PKM (0.38) | PKMCYP19A1ALDH1A1HSD11B1DPP4 | |
| SCHEMBL5512258 | 0.83 | PKM (0.38) | PKMCYP19A1ALDH1A1HSD11B1DPP4 | |
| SCHEMBL2603060 | 0.83 | HSD11B1 (0.41) | PKMCYP19A1ALDH1A1HSD11B1DPP4 | |
| SCHEMBL158814 | 0.82 | CYP19A1 (0.50) | CYP19A1ALDH1A1EPHX2CYP17A1THRB | |
| SCHEMBL14791585 | 0.81 | PKM (0.46) | PKMALDH1A1HSD11B1DPP4DPP8 | |
| SCHEMBL12936737 | 0.81 | HSD11B1 (0.40) | PKMCYP19A1ALDH1A1HSD11B1DPP4 | |
| Hydrochloric Acid SCHEMBL7313276 | 0.80 | CYP19A1 (0.49) | CYP19A1ALDH1A1EPHX2CYP17A1THRB | |
| SCHEMBL18232632 | 0.80 | MAPT (0.35) | PKMCYP19A1ALDH1A1HSD11B1DPP4 | |
| SCHEMBL10228479 | 0.80 | HSD11B1 (0.36) | PKMCYP19A1ALDH1A1HSD11B1DPP4 |
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-2611770-A1 | PROCESS FOR THE REDUCTIVE AMINATION OF -KETO CARBOXYLIC ACIDS | Sandoz AG (CH) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028721-A1 | PROCESS FOR THE REDUCTIVE AMINATION OF α-KETO CARBOXYLIC ACIDS | SANDOZ AG (CH) | 2012-03-08 | — | — | WO | disclosed |