Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 4/20 | 0.33 |
| ▸ | CES1 | P23141 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ASPH | Q12797 | 3/20 | 0.33 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9247951 | 0.85 | KEAP1 (0.41) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL4506073 | 0.78 | KEAP1 (0.39) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL9247397 | 0.76 | KEAP1 (0.42) | KEAP1NFE2L2KDM4EASPHKDM8 | |
| SCHEMBL2195554 | 0.72 | CYP1A2 (0.44) | CES1KDM4ENOTUMALDH1A1HPGD | |
| SCHEMBL29816825 | 0.72 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| Fluoride SCHEMBL6445071 | 0.72 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL503374 | 0.72 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| Fluoride SCHEMBL28471027 | 0.72 | KEAP1 (0.47) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL7592421 | 0.72 | KEAP1 (0.40) | KEAP1NFE2L2CES2CES1KDM4E | |
| SCHEMBL27775784 | 0.71 | ALB (0.52) | CES2CES1KDM4EALDH1A1HPGD |
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-0355774-B1 | Nucleus-fluorinated aromatic carboxylates and processes for their production | ASAHI GLASS CO LTD (JP) | 1995-04-26 | — | — | EP | disclosed |
| US-4985588-A | Nucleus-fluorinated aromatic carboxylates and processes for their production | ASAHI GLASS COMPANY LTD. (JP) | 1991-01-15 | — | — | US | disclosed |