Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.31 |
| ▸ | PRKCI | P41743 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31422520 | 0.84 | PIM1 (0.33) | NOTUMPARP1DAOPIM1PIM3 | |
| SCHEMBL3576499 | 0.83 | PRKCI (0.49) | PARP1PRKCIBRAF | |
| SCHEMBL17548483 | 0.83 | CYP4F2 (0.38) | NOTUMPARP1PIM1PIM3AURKB | |
| SCHEMBL2233428 | 0.83 | TSHR (0.34) | NOTUMPIM1PIM3AURKBCXCR2 | |
| SCHEMBL2056403 | 0.83 | NOTUM (0.47) | NOTUMIDO1 | |
| SCHEMBL1557945 | 0.83 | PIM1 (0.34) | NOTUMPIM1PIM3AURKBPRKCI | |
| SCHEMBL5950532 | 0.83 | PIM1 (0.31) | NOTUMPIM1PIM3AURKBPRKCI | |
| SCHEMBL7810819 | 0.83 | CDK8 (0.41) | PIM1PIM3AURKB | |
| SCHEMBL6963004 | 0.82 | MAOA (0.41) | DAO | |
| SCHEMBL6958334 | 0.82 | HRH3 (0.41) | — |
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 |