Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7380196 | 0.78 | MAPT (0.43) | ALDH1A1CYP1A2 | |
| SCHEMBL7379186 | 0.77 | LTA4H (0.45) | CYP11B1CYP11B2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6742580 | 0.75 | KDM4E (0.43) | CYP11B1VNN1CYP11B2HSD17B10 | |
| SCHEMBL7378072 | 0.71 | AR (0.42) | CYP19A1ARCYP11B1VNN1CYP11B2 | |
| SCHEMBL7382349 | 0.71 | VNN1 (0.39) | CYP19A1ARCYP11B1VNN1CYP11B2 | |
| SCHEMBL23218256 | 0.70 | CYP11B1 (0.50) | CYP19A1CYP11B1CYP11B2ALDH1A1HSD17B10 | |
| SCHEMBL29593169 | 0.70 | CYP11B1 (0.50) | CYP19A1CYP11B1CYP11B2ALDH1A1HSD17B10 | |
| SCHEMBL6629615 | 0.69 | CHRNB2 (0.48) | ALDH1A1CYP1A2 | |
| SCHEMBL10474110 | 0.69 | TDP1 (0.48) | — | |
| SCHEMBL18002080 | 0.68 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP3A4MAPK1 |
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 |