Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7377175 | 0.73 | HTT (0.46) | CYP1A2L3MBTL1ALDH1A1CYP2C19KDM4E | |
| SCHEMBL7379834 | 0.73 | CYP2C19 (0.37) | CYP1A2L3MBTL1ALDH1A1CYP2C19 | |
| SCHEMBL7562318 | 0.72 | PARP1 (0.46) | L3MBTL1CYP2C19HPGDGAABRD4 | |
| SCHEMBL24372234 | 0.70 | CYP1A2 (0.53) | CYP1A2CYP2A6AKR1B1ALDH1A1KDM4E | |
| SCHEMBL12109427 | 0.70 | UGT2B7 (0.55) | CYP1A2CYP2A6AKR1B1ALDH1A1MEN1 | |
| SCHEMBL6366994 | 0.69 | CYP1A2 (0.57) | CYP1A2CYP2A6AKR1B1ALDH1A1KDM4E | |
| SCHEMBL7419045 | 0.68 | CTSA (0.45) | CYP1A2L3MBTL1CYP2C19 | |
| SCHEMBL28556755 | 0.68 | AKR1B1 (0.43) | CYP1A2CYP2A6AKR1B1ALDH1A1CYP2C19 | |
| SCHEMBL9319123 | 0.68 | CYP1A2 (0.55) | CYP1A2CYP2A6AKR1B1ALDH1A1CYP2C19 | |
| SCHEMBL16646888 | 0.68 | CYP1A2 (0.55) | CYP1A2CYP2A6AKR1B1ALDH1A1CYP2C19 |
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-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |