Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949962 | 0.82 | GAA (0.43) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6948400 | 0.82 | XDH (0.51) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6951832 | 0.80 | ALDH1A1 (0.45) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6955411 | 0.80 | RXFP1 (0.54) | ALDH1A1NPSR1SMN1; SMN2CXCR2KDM4E | |
| SCHEMBL6952723 | 0.80 | PDE9A (0.44) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6948386 | 0.78 | ALDH1A1 (0.41) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6945649 | 0.78 | PDE9A (0.41) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6945691 | 0.78 | PDE9A (0.45) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6953105 | 0.77 | ALDH1A1 (0.42) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL6948390 | 0.77 | ALDH1A1 (0.42) | ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD |
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 |