Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 8/20 | 0.41 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28160333 | 0.83 | PTGS2 (0.47) | PTGS1PTGS2STAT3 | |
| SCHEMBL28022982 | 0.83 | PTPN1 (0.41) | PTGS2 | |
| SCHEMBL30211016 | 0.82 | SCN9A (0.51) | PTGES2CA2CA1SCN9APTGS1 | |
| SCHEMBL4610069 | 0.82 | STAT3 (0.41) | PTGES2CA2CA1CA9SCN9A | |
| SCHEMBL27702233 | 0.82 | CA2 (0.47) | PTGES2CA2CA1CA9CA4 | |
| SCHEMBL7696386 | 0.81 | SCN9A (0.40) | PTGES2SCN9ASTAT3 | |
| SCHEMBL28022377 | 0.80 | CA2 (0.40) | PTGES2CA2CA1CA9SCN9A | |
| SCHEMBL8770171 | 0.78 | SCN9A (0.45) | PTGES2CA2CA1SCN9ACA5A | |
| SCHEMBL7696390 | 0.78 | STAT3 (0.39) | PTGES2CA2CA1CA9SCN9A | |
| SCHEMBL48885 | 0.78 | CA2 (0.52) | CA2CA1CA9SCN9ACA4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451285-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-05-16 | — | — | EP | claimed |
| WO-2011005608-A1 | PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-01-13 | — | — | WO | claimed |
| CN-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |
| EP-2964635-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014135495-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |