Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TGM2 | P21980 | 6/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28264187 | 0.88 | CYP2C19 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL5396951 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL10594826 | 0.76 | CYP2C19 (0.59) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL30758297 | 0.76 | CYP2C19 (0.59) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL3701045 | 0.75 | CYP2C19 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL730210 | 0.74 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL6908098 | 0.74 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL10635375 | 0.74 | CYP2C19 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| SCHEMBL10534963 | 0.74 | CYP2C19 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 | |
| Potassium Ion SCHEMBL9616863 | 0.74 | CYP2C19 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19TGM2 |
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-0272684-B1 | DERIVATIVES OF N-(METHYLSULPHONYLPHENYLETHYL)-2-PROPENAMIDES AND THEIR USE AS ANTIBIOTICS | ZAMBON S.p.A. (IT) | 1991-06-12 | — | — | EP | disclosed |
| EP-0272684-A2 | Derivatives of N-(methylsulphonylphenylethyl)-2-propenamides and their use as antibiotics | ZAMBON S.p.A. (IT) | 1988-06-29 | — | — | EP | disclosed |