Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.41 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.41 |
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.38 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6742801 | 0.83 | TDP1 (0.47) | VCAM1TDP1GRIA1GRIA2GRIA3 | |
| Water SCHEMBL28314114 | 0.80 | MEN1 (0.43) | VCAM1TDP1GRIA1GRIA2GRIA3 | |
| SCHEMBL9829866 | 0.80 | LMNA (0.50) | VCAM1TDP1GRIA1GRIA2GRIA3 | |
| SCHEMBL30204899 | 0.80 | LMNA (0.50) | VCAM1TDP1GRIA1GRIA2GRIA3 | |
| SCHEMBL6736892 | 0.78 | TSHR (0.41) | ALDH1A1MAPTCYP1A2LMNATSHR | |
| SCHEMBL6742110 | 0.77 | VCAM1 (0.46) | VCAM1TDP1GRIA1GRIA2GRIA3 | |
| Tert-Butanol SCHEMBL29273186 | 0.77 | ALDH1A1 (0.41) | VCAM1TDP1ALDH1A1MEN1F2 | |
| SCHEMBL56638 | 0.76 | VCAM1 (0.56) | VCAM1TDP1GRIA1GRIA2GRIA3 | |
| SCHEMBL29382907 | 0.76 | VCAM1 (0.56) | VCAM1TDP1GRIA1GRIA2GRIA3 | |
| SCHEMBL220318 | 0.75 | VCAM1 (0.47) | VCAM1TDP1GRIA1GRIA2GRIA3 |
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 |