Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | TEK | Q02763 | 2/20 | 0.35 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL756375 | 0.80 | CA12 (0.51) | CA12CA9KCNA3ALDH1A1HPGD | |
| SCHEMBL4951922 | 0.77 | GRM2 (0.42) | CA12CA9ALDH1A1HPGDMEN1 | |
| SCHEMBL4965051 | 0.74 | ALOX5 (0.47) | CA12CA9MAOAMAOBALOX5 | |
| SCHEMBL756276 | 0.74 | ALOX5 (0.51) | CA12CA9ALDH1A1HPGDALDH2 | |
| SCHEMBL759038 | 0.74 | CA12 (0.70) | CA12CA9KCNA3ALDH1A1HPGD | |
| SCHEMBL759460 | 0.71 | ALOX5 (0.66) | ALOX5 | |
| SCHEMBL758425 | 0.71 | GRM2 (0.55) | ALOX5 | |
| SCHEMBL757882 | 0.71 | ALOX5 (0.66) | ALOX5 | |
| SCHEMBL758820 | 0.71 | KCNA3 (0.44) | KCNA3ALOX5 | |
| SCHEMBL755783 | 0.70 | GRM2 (0.67) | ALOX5 |
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 | claimed |