Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.73 |
| ▸ | SCD | O00767 | 1/20 | 0.58 |
| ▸ | FADS1 | O60427 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7087907 | 0.90 | PTGS2 (0.61) | PTGS2SCDFADS1DRD1PTGS1 | |
| SCHEMBL215130 | 0.85 | PTGS2 (1.00) | PTGS2DRD1PTGS1 | |
| SCHEMBL14955951 | 0.84 | PTGS2 (0.52) | PTGS2SCDFADS1PTGS1 | |
| SCHEMBL6732658 | 0.82 | PTGS2 (0.70) | PTGS2DRD1 | |
| SCHEMBL6725947 | 0.82 | PTGS2 (0.75) | PTGS2PTGS1 | |
| SCHEMBL30604305 | 0.82 | PTGS2 (0.60) | PTGS2DRD1 | |
| SCHEMBL5502727 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6726444 | 0.81 | PTGS2 (0.77) | PTGS2 | |
| SCHEMBL6726273 | 0.81 | PTGS2 (0.68) | PTGS2DRD1 | |
| SCHEMBL6721556 | 0.81 | PTGS2 (0.73) | PTGS2PTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | claimed |
| EP-0679157-A1 | NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1995-11-02 | — | — | EP | disclosed |
| WO-1994015932-A1 | NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1994-07-21 | — | — | WO | disclosed |