Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650011 | 0.88 | KDM4C (0.45) | GABRA1GABRB2GABRB1GABRA3KDM4E | |
| SCHEMBL4650116 | 0.85 | CLEC4M (0.51) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL1549881 | 0.83 | GABRA1 (0.45) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL4649978 | 0.82 | KDM4E (0.50) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL4649437 | 0.79 | KDM4E (0.57) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL4349551 | 0.79 | GABRA1 (0.51) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL4650643 | 0.79 | KDM5A (0.41) | ALDH1A1 | |
| SCHEMBL3639479 | 0.77 | GABRA1 (0.46) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL1127044 | 0.76 | GABRA1 (0.45) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL4649199 | 0.75 | ALDH1A1 (0.43) | KDM4EALDH1A1MAPK1 |
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 | disclosed |
| WO-2007067489-A1 | QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2007-06-14 | — | — | WO | disclosed |