Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6743455 | 0.85 | CA1 (0.42) | CA1CA2MAP2K1TSHRMCL1 | |
| SCHEMBL28190550 | 0.82 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL6742592 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL1375312 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL29355884 | 0.79 | CYP1A2 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL27941110 | 0.78 | TSHR (0.43) | CYP3A4CYP2C9CA1CA2TSHR | |
| SCHEMBL6457239 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL6740953 | 0.76 | TSHR (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL250206 | 0.76 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL6089703 | 0.74 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 |
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 9 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 |
| EP-1027332-A1 | NOVEL LACTAM METALLOPROTEASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-08-16 | — | — | EP | disclosed |
| US-6057336-A | ANTIINFLAMMATORY AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-02 | — | — | US | disclosed |
| WO-1999018074-A1 | NOVEL LACTAM METALLOPROTEASE INHIBITORS | Britol-Myers Squibb Pharma Company (US) | 1999-04-15 | — | — | WO | disclosed |