Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | SORD | Q00796 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAPDH | P04406 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL761453 | 0.87 | CA9 (0.47) | ALDH1A1HPGDMAOBCA12CA9 | |
| SCHEMBL27771665 | 0.78 | CA12 (0.45) | ALDH1A1HPGDMAOBCA12CA9 | |
| SCHEMBL9009049 | 0.76 | CA9 (0.62) | KDM4EALDH1A1HPGDMAOBCA12 | |
| SCHEMBL759047 | 0.76 | CA12 (0.50) | KDM4EALDH1A1HPGDTDP1MAOB | |
| SCHEMBL4075975 | 0.74 | ALOX5 (0.53) | KDM4EALDH1A1HPGDMAOBCA12 | |
| SCHEMBL28187031 | 0.73 | MAOB (0.49) | ALDH1A1HPGDMAOBCA12CA9 | |
| SCHEMBL765821 | 0.72 | MAOA (0.58) | KDM4EALDH1A1HPGDMAOBCA12 | |
| SCHEMBL28068462 | 0.71 | RAB9A (0.71) | KDM4EALDH1A1HPGDMAOBMEN1 | |
| SCHEMBL14079715 | 0.70 | CA12 (0.42) | ALDH1A1HPGDMAOBCA12CA9 | |
| SCHEMBL759601 | 0.69 | CA12 (0.64) | KDM4EALDH1A1HPGDMAOBCA12 |
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 |
| US-7960409-B2 | e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents | MERCK SHARP & DOHME CORP. (US) | 2011-06-14 | — | — | US | disclosed |