Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | BTN3A1 | O00481 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | OGG1 | O15527 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529771 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL23827926 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL20840403 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL21192831 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL2512330 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL23044633 | 0.90 | MEN1 (0.39) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL20845948 | 0.88 | BTN3A1 (0.41) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL29692333 | 0.88 | BTN3A1 (0.41) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL30435963 | 0.88 | BTN3A1 (0.41) | ALDH1A1HSD17B10PGRGAAPTGS1 | |
| SCHEMBL28401524 | 0.88 | BTN3A1 (0.41) | ALDH1A1HSD17B10PGRGAAPTGS1 |
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-112442011-A | Prodrug compound and application thereof in treating cancer | 润佳（苏州）医药科技有限公司 | 2021-03-05 | — | — | CN | disclosed |