Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 17/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 17/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.52 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11193984 | 0.86 | AKR1C3 (0.53) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL1556908 | 0.84 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL9063835 | 0.84 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL20943203 | 0.84 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL11192581 | 0.84 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL26093138 | 0.83 | AKR1C3 (0.61) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL1574429 | 0.82 | AKR1C3 (0.58) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL8092960 | 0.82 | AKR1C3 (0.60) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL2657051 | 0.81 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1SMN1; SMN2 | |
| SCHEMBL2656833 | 0.81 | ALDH1A1 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6320050-B1 | 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. | HOFFMANN-LA ROCHE INC. | 2001-11-20 | — | — | US | disclosed |