Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM6 | O15303 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27497162 | 0.86 | GRM6 (0.35) | GRM6CYP2C9CYP2C19NPSR1CNR1 | |
| SCHEMBL27961512 | 0.72 | CYP2C9 (0.40) | GRM6CYP2C9CYP2C19NPSR1CNR1 | |
| Methane SCHEMBL27512739 | 0.72 | GRM6 (0.36) | GRM6CYP2C9CYP2C19NPSR1CNR1 | |
| SCHEMBL19625997 | 0.71 | NPSR1 (0.52) | NPSR1ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL6977590 | 0.69 | CFTR (0.36) | GRM6CYP2C9CYP2C19NPSR1CNR1 | |
| SCHEMBL7385332 | 0.69 | CFTR (0.36) | GRM6CYP2C9CYP2C19NPSR1CNR1 | |
| SCHEMBL3963821 | 0.69 | MEN1 (0.39) | GRM6CYP2C9CYP2C19NPSR1CNR1 | |
| SCHEMBL6985283 | 0.69 | ALDH1A1 (0.53) | GRM6ALDH1A1HPGDCYP1A2LMNA | |
| SCHEMBL14634345 | 0.68 | GRM5 (0.47) | GRM6CYP2C9CYP2C19NPSR1CNR1 | |
| SCHEMBL5556257 | 0.67 | GRM6 (0.40) | GRM6CYP2C9CYP2C19NPSR1CNR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1222909-A | Pyrazinone thrombin inhibitors | MERCK & CO INC (US) | 1999-07-14 | — | — | CN | disclosed |