Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PGD | P52209 | 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 | |
|---|---|---|---|---|
| SCHEMBL7768006 | 0.78 | TSHR (0.43) | ALDH1A1HPGDHIF1APGD | |
| SCHEMBL529441 | 0.78 | — | — | |
| SCHEMBL158249 | 0.73 | SMN1; SMN2 (0.37) | ALDH1A1HPGDHIF1A | |
| SCHEMBL459446 | 0.72 | — | — | |
| SCHEMBL9229615 | 0.72 | — | — | |
| SCHEMBL11045907 | 0.71 | ALDH1A1 (0.35) | ALDH1A1HPGDHIF1A | |
| SCHEMBL1980632 | 0.71 | — | — | |
| SCHEMBL9512718 | 0.71 | — | — | |
| SCHEMBL6573417 | 0.71 | ALDH1A1 (0.35) | ALDH1A1HPGDHIF1A | |
| SCHEMBL15198769 | 0.70 | METAP2 (0.36) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104744291-B | N-benzyl-4-cyclobutyl-2-hydroxy-3-nitrobutyrylamide and use thereof | 宁波九胜创新医药科技有限公司 | 2017-01-11 | — | — | CN | disclosed |