Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.43 |
| ▸ | CDK2 | P24941 | 3/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9954113 | 0.86 | GRM5 (0.61) | GRM5MAOBMAOACNR2CYP3A4 | |
| SCHEMBL9956217 | 0.83 | GRM5 (0.57) | GRM5MAOBMAOACNR2CYP3A4 | |
| SCHEMBL9954811 | 0.82 | GRM5 (0.59) | GRM5MAOBMAOACNR2CYP3A4 | |
| SCHEMBL9955388 | 0.82 | GRM5 (0.58) | GRM5MAOBMAOAKDR | |
| SCHEMBL9954136 | 0.80 | GRM5 (0.54) | GRM5MAOBMAOACNR2CYP3A4 | |
| SCHEMBL9955875 | 0.80 | MAOB (0.61) | GRM5MAOBMAOACDK5CDK5R1 | |
| SCHEMBL9959960 | 0.80 | GRM5 (0.53) | GRM5MAOBMAOACNR2CYP3A4 | |
| SCHEMBL9955054 | 0.78 | MAOB (0.61) | GRM5MAOBMAOACDK5CDK5R1 | |
| SCHEMBL9954102 | 0.76 | MAOB (0.61) | GRM5MAOBMAOAKDRHDAC3 | |
| SCHEMBL9960032 | 0.74 | GRM5 (1.00) | GRM5MAOBMAOACDK5CDK5R1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085167-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-06-28 | — | — | WO | claimed |
| WO-2012085167-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-06-28 | — | — | WO | disclosed |