Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | ATP4A | P20648 | 2/20 | 0.41 |
| ▸ | ATP4B | P51164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL201782 | 0.83 | CYP2A6 (0.43) | CD44CYP3A4TDP1TSHRALDH1A1 | |
| SCHEMBL3667054 | 0.81 | CD44 (0.54) | CD44CYP3A4TDP1TSHRPIK3CA | |
| Ethylene SCHEMBL27537107 | 0.80 | CD44 (0.48) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL455161 | 0.79 | CD44 (0.52) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL2009339 | 0.79 | CD44 (0.52) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL30417664 | 0.79 | CD44 (0.52) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL31606366 | 0.79 | CD44 (0.52) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL6344760 | 0.79 | CD44 (0.52) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL8285847 | 0.77 | CD44 (0.50) | CD44CYP3A4TDP1TSHRPIK3CA | |
| SCHEMBL20841387 | 0.77 | CD44 (0.50) | CD44CYP3A4TDP1TSHRPIK3CA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6689771-B2 | TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-02-10 | — | — | US | disclosed |
| US-6376665-B1 | ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-04-23 | — | — | US | disclosed |
| 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 |