Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6740663 | 0.83 | ALDH1A1 (0.39) | NPSR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL424461 | 0.80 | ALDH1A1 (0.44) | NPSR1ALDH1A1CYP3A4TSHRKDM4E | |
| SCHEMBL1043971 | 0.72 | ALDH1A1 (0.46) | NPSR1ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL20746578 | 0.71 | CNR2 (0.46) | ALDH1A1TDP1KDM4E | |
| SCHEMBL17748457 | 0.71 | RAPGEF4 (0.42) | ALDH1A1KDM4E | |
| SCHEMBL6742547 | 0.70 | ALDH1A1 (0.33) | NPSR1ALDH1A1CYP3A4KDM4E | |
| SCHEMBL11377846 | 0.70 | ALDH1A1 (0.50) | NPSR1ALDH1A1TSHRMAPK1TDP1 | |
| SCHEMBL6560140 | 0.70 | ALDH1A1 (0.50) | ALDH1A1CYP3A4KDM4E | |
| SCHEMBL1588979 | 0.67 | ALDH1A1 (0.55) | ALDH1A1 | |
| SCHEMBL7352511 | 0.66 | ALDH1A1 (0.44) | ALDH1A1 |
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 7 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-6610731-B2 | Antiinflammatory | BRISTOL-MYERS SQUIBB COMPANY | 2003-08-26 | — | — | US | disclosed |
| US-6403632-B1 | CYCLIC AMIDE DERIVATIVE | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-06-11 | — | — | 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 |
| US-6057336-A | ANTIINFLAMMATORY AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-02 | — | — | US | disclosed |