Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | STS | P08842 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL759113 | 0.84 | CA2 (0.43) | CA2CA1CA5ACA9KDM4E | |
| SCHEMBL31710846 | 0.84 | CA2 (0.43) | CA2CA1CA5ACA9KDM4E | |
| SCHEMBL2987667 | 0.83 | AR (0.40) | CA2CA1CA5ACA9KDM4E | |
| SCHEMBL12986005 | 0.82 | KCNA3 (0.51) | CA1CA9ALDH1A1L3MBTL1MEN1 | |
| SCHEMBL3553197 | 0.82 | KDM4E (0.55) | CA2CA1CA5ACA9KDM4E | |
| SCHEMBL30231652 | 0.82 | KDM4E (0.55) | CA2CA1CA5ACA9KDM4E | |
| SCHEMBL757973 | 0.82 | AR (0.41) | CA2CA1CA5ACA9KDM4E | |
| SCHEMBL3544562 | 0.82 | AR (0.41) | CA2CA1CA5ACA9AR | |
| SCHEMBL3206019 | 0.81 | AR (0.41) | CA2CA1CA5ACA9KDM4E | |
| SCHEMBL17844932 | 0.77 | TNKS (0.40) | CA2CA1CA9KDM4EALDH1A1 |
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 1 patent. 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 |