Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL517250 | 0.87 | ALDH1A1 (0.45) | ALDH1A1DGAT1KCNN4CA2MEN1 | |
| SCHEMBL5075457 | 0.78 | CA2 (0.37) | ALDH1A1CA2CES2 | |
| SCHEMBL12445266 | 0.77 | ALDH1A1 (0.44) | ALDH1A1DGAT1KCNN4MEN1KMT2A | |
| SCHEMBL22767945 | 0.77 | ALDH1A1 (0.39) | ALDH1A1DGAT1KCNN4MEN1KMT2A | |
| SCHEMBL10763959 | 0.77 | ALDH1A1 (0.39) | ALDH1A1DGAT1KCNN4MEN1KMT2A | |
| SCHEMBL10825857 | 0.77 | DGAT1 (0.36) | ALDH1A1DGAT1KCNN4CA2CES2 | |
| SCHEMBL10826514 | 0.76 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL30008084 | 0.76 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL517272 | 0.76 | DGAT1 (0.39) | ALDH1A1DGAT1KCNN4MEN1KMT2A | |
| SCHEMBL1129794 | 0.76 | ALDH1A1 (0.42) | ALDH1A1DGAT1KCNN4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4822897-A | REACTING ETHYLENE MONOOLEFINS, CYANIDE, AND FLUOROESTER | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-04-18 | — | — | US | disclosed |
| US-4686300-A | Polyfluoro gamma-ketoesters and 5-hydroxy gamma lactone analogues thereof | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-08-11 | — | — | US | disclosed |