Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL4649445 | 0.89 | ALDH1A1 (0.34) | CYP1A2ALDH1A1MEN1HPGDALOX12 | |
| SCHEMBL4650143 | 0.89 | CSNK2A2 (0.43) | CYP1A2ALDH1A1HPGDCSNK2A2CSNK2B | |
| SCHEMBL4649980 | 0.89 | CYP1A2 (0.43) | CYP1A2ALDH1A1MEN1HPGDALOX12 | |
| SCHEMBL4650124 | 0.88 | ALDH1A1 (0.47) | CYP1A2ALDH1A1MEN1HPGDALOX12 | |
| SCHEMBL4650001 | 0.87 | CSNK2A2 (0.39) | CYP1A2ALDH1A1HPGDCSNK2A2CSNK2B | |
| SCHEMBL4649978 | 0.86 | KDM4E (0.50) | CYP1A2MRGPRX4KDM4E | |
| SCHEMBL4559012 | 0.86 | CHRM1 (0.43) | CYP1A2ALDH1A1HPGDCSNK2A2CSNK2B | |
| SCHEMBL4650790 | 0.85 | KDM5A (0.42) | CYP1A2ALDH1A1HPGDKDM5AKDM5B | |
| SCHEMBL4649448 | 0.83 | CSNK2A1 (0.44) | CYP1A2ALDH1A1HPGDCSNK2A2CSNK2B | |
| SCHEMBL4650008 | 0.82 | CSNK2A2 (0.39) | CYP1A2ALDH1A1MEN1HPGDALOX12 |
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-1963271-A1 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck & Co., Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007067489-A1 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2007-06-14 | — | — | WO | claimed |
| EP-1963271-A1 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck & Co., Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007067489-A1 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2007-06-14 | — | — | WO | disclosed |