Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL329676 | 0.80 | HTR2A (0.42) | HTR2AHTR2CCYP3A4MEN1CYP2D6 | |
| SCHEMBL29588076 | 0.80 | HTR2A (0.42) | HTR2AHTR2CCYP3A4MEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL550115 | 0.78 | HTR2C (0.41) | HTR2AHTR2CCYP3A4MEN1CYP2D6 | |
| SCHEMBL9058489 | 0.77 | HTR2A (0.62) | HTR2AHTR2CCYP3A4MEN1CYP2D6 | |
| SCHEMBL29608943 | 0.75 | RXRA (0.42) | HTR2A | |
| SCHEMBL501768 | 0.75 | RXRA (0.42) | HTR2A | |
| SCHEMBL30695310 | 0.75 | HTR2A (0.39) | HTR2APDK2PDK4 | |
| SCHEMBL2353102 | 0.75 | HTR2A (0.39) | HTR2APDK2PDK4 | |
| SCHEMBL29384370 | 0.73 | PDK2 (0.42) | HTR2AHTR2CPDK2PDK4 | |
| SCHEMBL1031209 | 0.73 | PDK2 (0.42) | HTR2AHTR2CPDK2PDK4 |
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 |