Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.36 |
| ▸ | FEN1 | P39748 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6718980 | 0.86 | PTGS2 (0.43) | TGFBR1PDE10ACA1CA2ALOX5AP | |
| SCHEMBL6834803 | 0.84 | CA1 (0.46) | TGFBR1PDE10ACA1CA2PTGS2 | |
| SCHEMBL6749945 | 0.83 | SCN9A (0.43) | CA1CA2ALOX5APFEN1PTGS2 | |
| SCHEMBL6746037 | 0.83 | ALOX5AP (0.44) | CA1CA2ALOX5APFEN1PTGS2 | |
| SCHEMBL6746699 | 0.81 | TGFBR1 (0.43) | TGFBR1CA1CA2ALOX5APFEN1 | |
| SCHEMBL6750007 | 0.81 | TGFBR1 (0.42) | TGFBR1PDE10ACA1CA2ALOX5AP | |
| SCHEMBL6744782 | 0.79 | CA1 (0.39) | CA1CA2ALOX5APFEN1PTGS2 | |
| SCHEMBL6749867 | 0.79 | PTGS2 (0.49) | CA1CA2ALOX5APFEN1PTGS2 | |
| SCHEMBL7042019 | 0.78 | TGFBR1 (0.41) | TGFBR1PDE10AALOX5APFEN1PTGS2 | |
| SCHEMBL6750040 | 0.77 | PTGS2 (0.46) | CA1CA2ALOX5APFEN1PTGS2 |
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-6699884-B2 | ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. | PHARMACIA CORPORATION | 2004-03-02 | — | — | US | claimed |
| US-6699884-B2 | ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. | PHARMACIA CORPORATION | 2004-03-02 | — | — | US | disclosed |