Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28190550 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL6737403 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL1375312 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL6457239 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL19437188 | 0.76 | MPO (0.39) | TSHRKDM4EHPGDMEN1MAPT | |
| SCHEMBL6739582 | 0.76 | TSHR (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL250206 | 0.76 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL29355884 | 0.76 | CYP1A2 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL6089703 | 0.74 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL6740454 | 0.72 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR |
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 |