Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7802249 | 1.00 | PTGS2 (0.48) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7802251 | 1.00 | PTGS2 (0.48) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7807200 | 0.90 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL7807198 | 0.90 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL7807292 | 0.89 | PTGS2 (0.48) | PTGS2PTGS1ESR2 | |
| SCHEMBL1782770 | 0.89 | PTGS2 (0.46) | PTGS2PTGS1ADORA3 | |
| SCHEMBL6882900 | 0.89 | AKR1C3 (0.42) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL7806930 | 0.89 | PTGS2 (0.46) | PTGS2PTGS1ADORA3 | |
| SCHEMBL7807269 | 0.89 | PTGS2 (0.48) | PTGS2PTGS1ESR2 | |
| SCHEMBL6882905 | 0.89 | AKR1C3 (0.42) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6180651-B1 | ANTIINFLAMMATORY AGENTS; ANALGESICS | BRISTOL-MYERS SQUIBB | 2001-01-30 | — | — | US | disclosed |
| WO-2000014082-A1 | DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES | LABORATORIES UPSA (FR) | 2000-03-16 | — | — | WO | disclosed |