Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | HAT1 | O14929 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650156 | 0.88 | KDM4E (0.51) | CYP1A2ALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL4650802 | 0.82 | ALDH1A1 (0.53) | CYP1A2ALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL4650147 | 0.80 | KDM4E (0.44) | CYP1A2ALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL4650109 | 0.80 | CYP1A2 (0.46) | CYP1A2ALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL4649293 | 0.79 | KDM4E (0.43) | CYP1A2ALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL1550920 | 0.79 | PTPN22 (0.40) | CYP1A2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL4748307 | 0.79 | KDM4E (0.45) | CYP1A2ALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL4650115 | 0.76 | KDM4E (0.41) | CYP1A2ALDH1A1HPGDMEN1ALOX12 | |
| SCHEMBL28412169 | 0.76 | SRD5A2 (0.58) | ALDH1A1HPGDSRD5A2KDM4EHSD17B10 | |
| SCHEMBL4650661 | 0.73 | ALDH1A1 (0.60) | CYP1A2ALDH1A1HPGDMEN1ALOX12 |
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 |