Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949240 | 0.97 | TSHR (0.46) | TSHRALDH1A1KDM4ERXFP1CYP2C9 | |
| SCHEMBL6953752 | 0.93 | CYP2C9 (0.40) | TSHRALDH1A1CYP2C9CYP2D6POLB | |
| SCHEMBL6952822 | 0.90 | CYP2C9 (0.39) | TSHRCYP2C9CYP2D6POLBMEN1 | |
| SCHEMBL6952584 | 0.87 | CYP2C9 (0.40) | TSHRALDH1A1KDM4ECYP2C9CYP2D6 | |
| SCHEMBL6949137 | 0.87 | CYP2D6 (0.44) | ALDH1A1CYP2C9CYP2D6MEN1KMT2A | |
| SCHEMBL6952859 | 0.86 | CYP2C9 (0.40) | ALDH1A1CYP2C9CYP2D6POLBMEN1 | |
| SCHEMBL6946348 | 0.85 | MAPT (0.42) | ALDH1A1CYP2C9CYP2D6POLBMEN1 | |
| SCHEMBL6955486 | 0.85 | CYP2C9 (0.35) | ALDH1A1CYP2C9CYP2D6POLBMEN1 | |
| SCHEMBL6950955 | 0.85 | CYP2C9 (0.35) | TSHRALDH1A1KDM4ECYP2C9CYP2D6 | |
| SCHEMBL6950082 | 0.84 | ALDH1A1 (0.39) | ALDH1A1KDM4ERXFP1CYP2C9CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1074549-B1 | Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors | HOFFMANN LA ROCHE (CH) | 2003-11-19 | — | — | EP | disclosed |
| US-6218385-B1 | FOR THERAPY OR PROPHYLAXIS OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS EPILEPSY, STROKE, CHRONIC AND ACUTE PAIN, PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND MEMORY DEFICITS | HOFFMANN-LA ROCHE INC. | 2001-04-17 | — | — | US | disclosed |
| EP-1074549-A2 | Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors | F. HOFFMANN-LA ROCHE AG (CH) | 2001-02-07 | — | — | EP | disclosed |