Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008016 | 0.85 | PTGS1 (0.59) | VCAM1PTGS1PTGS2LMNAHTT | |
| SCHEMBL25367923 | 0.84 | LMNA (0.46) | VCAM1PTGS1PTGS2LMNAHTT | |
| SCHEMBL6743784 | 0.83 | VCAM1 (0.67) | VCAM1LMNAMAPTMEN1KMT2A | |
| SCHEMBL16957100 | 0.83 | LMNA (0.45) | VCAM1PTGS1PTGS2LMNAHTT | |
| SCHEMBL7090977 | 0.81 | VCAM1 (0.91) | VCAM1LMNAALDH1A1TSHRXDH | |
| SCHEMBL1005421 | 0.81 | VCAM1 (1.00) | VCAM1LMNASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL309863 | 0.81 | LMNA (0.61) | VCAM1PTGS1PTGS2LMNAHTT | |
| Acetonitrile SCHEMBL27788615 | 0.80 | VCAM1 (0.88) | VCAM1LMNAHTTMEN1KMT2A | |
| SCHEMBL202404 | 0.79 | ALDH1A1 (0.61) | ALDH1A1 | |
| SCHEMBL12154770 | 0.79 | VCAM1 (0.56) | VCAM1HTTMAPTMEN1KMT2A |
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 |