Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8423741 | 0.85 | EPHX2 (0.48) | PTGS2ESR2EPHX2AKR1C3AKR1C2 | |
| SCHEMBL8607731 | 0.80 | CES2 (0.52) | PTGS2VNN1ALDH1A1GAAEPHX2 | |
| SCHEMBL8607956 | 0.79 | PTGDR2 (0.39) | PTGS2VNN1ESR2ALDH1A1GAA | |
| SCHEMBL8423743 | 0.76 | HTR2A (0.40) | PTGS2ESR2EPHX2CYP3A4CYP2D6 | |
| SCHEMBL14541814 | 0.69 | EPHX2 (0.47) | ALDH1A1GAAEPHX2CYP3A4CYP2D6 | |
| SCHEMBL19329964 | 0.69 | PTGDR2 (0.43) | PTGS2VNN1ALDH1A1GAAEPHX2 | |
| SCHEMBL20838412 | 0.69 | PTGDR2 (0.43) | PTGS2VNN1ALDH1A1GAAEPHX2 | |
| SCHEMBL9895935 | 0.67 | VNN1 (0.45) | PTGS2VNN1ALDH1A1GAAEPHX2 | |
| SCHEMBL212020 | 0.67 | ALDH1A1 (0.49) | ALDH1A1GAACYP3A4CYP2D6SLC6A2 | |
| SCHEMBL30661278 | 0.67 | ALDH1A1 (0.49) | ALDH1A1GAACYP3A4CYP2D6SLC6A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5849943-A | Stilbene derivatives useful as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA, INC. (CA) | 1998-12-15 | — | — | US | claimed |
| US-5736579-A | ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS | G.D. SEARLE & CO. (US) | 1998-04-07 | — | — | US | disclosed |
| US-5684195-A | SULFINIC ACID SALT INTERMEDIATE, OXIDATIVE AMINATION | G. D. SEARLE & CO. (US) | 1997-11-04 | — | — | US | disclosed |
| US-5672626-A | ANTIINFLAMMATORY AGENT TREATING ARTHRITIS, PAIN, FEVER; ANTIPYRETICS | G. D. SEARLE & CO. (US) | 1997-09-30 | — | — | US | disclosed |
| US-5672627-A | ANTIINFLAMMATORY AGENT TREATING ARTHRITIS, PAIN, FEVER; ANTIPYRETICS | G.D. SEARLE & CO. (US) | 1997-09-30 | — | — | US | disclosed |
| US-5670510-A | SELECTIVELY INHIBIT CYCLOOXYGENASE II, ANTIARTHRITIC | G. D. SEARLE & CO. (US) | 1997-09-23 | — | — | US | disclosed |