Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650109 | 0.89 | CYP1A2 (0.46) | CYP1A2MEN1ALDH1A1HPGDALOX12 | |
| SCHEMBL4650643 | 0.86 | KDM5A (0.41) | ALDH1A1HPGDDAOMRGPRX4CSNK2A2 | |
| SCHEMBL4650124 | 0.85 | ALDH1A1 (0.47) | CYP1A2MEN1ALDH1A1HPGDALOX12 | |
| SCHEMBL4650011 | 0.84 | KDM4C (0.45) | MEN1ALDH1A1HPGDKMT2ACSNK2A2 | |
| SCHEMBL4650790 | 0.83 | KDM5A (0.42) | CYP1A2ALDH1A1HPGDDAOCSNK2A2 | |
| SCHEMBL4650143 | 0.82 | CSNK2A2 (0.43) | CYP1A2ALDH1A1HPGDCSNK2A2CSNK2B | |
| SCHEMBL4650035 | 0.82 | CSNK2A2 (0.43) | CYP1A2ALDH1A1HPGDCSNK2A2CSNK2B | |
| SCHEMBL4650008 | 0.81 | CSNK2A2 (0.39) | CYP1A2MEN1ALDH1A1HPGDALOX12 | |
| SCHEMBL4559012 | 0.81 | CHRM1 (0.43) | CYP1A2ALDH1A1HPGDCSNK2A2CSNK2B | |
| SCHEMBL4650012 | 0.80 | PNP (0.41) | CYP1A2HPGDCSNK2A2CSNK2BCSNK2A1 |
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-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 |