Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 7/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL757870 | 0.80 | GRM2 (0.43) | GRM2ALOX5PTGS2MAOBIDO1 | |
| SCHEMBL755605 | 0.78 | ALOX5 (0.43) | GRM2ALOX5MAOAMAOB | |
| SCHEMBL755690 | 0.77 | GRM2 (0.41) | GRM2ALOX5PTGS2MAOAMAOB | |
| SCHEMBL759204 | 0.76 | ALOX5 (0.40) | GRM2ALOX5MAOAMAOB | |
| SCHEMBL1997580 | 0.75 | GRM2 (0.46) | GRM2ALOX5MAOAMAOB | |
| SCHEMBL2004669 | 0.75 | IDO1 (0.50) | GRM2PTGS2MAOAMAOBCDC7 | |
| SCHEMBL756410 | 0.74 | GRM2 (0.53) | GRM2ALOX5 | |
| SCHEMBL756773 | 0.72 | GRM2 (0.66) | GRM2ALOX5 | |
| SCHEMBL756735 | 0.72 | GRM2 (0.66) | GRM2ALOX5 | |
| SCHEMBL4965051 | 0.72 | ALOX5 (0.47) | GRM2ALOX5MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2118093-B1 | [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK CANADA INC (CA) | 2012-03-21 | — | — | EP | disclosed |
| WO-2008095292-A1 | [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA LTD. (CA) | 2008-08-14 | — | — | WO | disclosed |