Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | CA1 | P00915 | 5/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28146378 | 0.87 | SCN9A (0.47) | CA2CA1CA9CA12LRRK2 | |
| SCHEMBL28078706 | 0.83 | IKBKB (0.49) | CA2CA1CA9CA12LRRK2 | |
| SCHEMBL1068744 | 0.82 | PTGS1 (0.62) | CA2CA1CA9CA12SCN9A | |
| Hydrochloric Acid SCHEMBL16015053 | 0.81 | PTGS1 (0.60) | CA2CA1CA9CA12SCN9A | |
| SCHEMBL16013401 | 0.81 | SCN9A (0.44) | CA2CA1SCN9ANR1H2NR1H3 | |
| SCHEMBL7211481 | 0.81 | PTGS2 (0.49) | CA2CA1CA9CA12LRRK2 | |
| SCHEMBL4733938 | 0.80 | CA2 (0.64) | CA2CA1CA9CA12LRRK2 | |
| SCHEMBL1068740 | 0.79 | CA12 (0.50) | CA2CA1CA9CA12LRRK2 | |
| SCHEMBL14161390 | 0.79 | CA1 (0.55) | CA2CA1CA9CA12BRD4 | |
| Hydrochloric Acid SCHEMBL16015050 | 0.78 | CA12 (0.49) | CA2CA1CA9CA12LRRK2 |
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 4 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 |
| 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 |