Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EED | O75530 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6955505 | 0.93 | MGMT (0.47) | MGMTHRH4MAPTSMN1; SMN2HTT | |
| SCHEMBL6955543 | 0.90 | MGMT (0.41) | MGMTHRH4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL6949119 | 0.87 | MGMT (0.39) | MGMTHRH4MAPTSMN1; SMN2HTT | |
| SCHEMBL6953559 | 0.86 | MAPT (0.49) | MGMTMAPTSMN1; SMN2HTTPOLB | |
| SCHEMBL6949472 | 0.85 | MGMT (0.42) | MGMTHRH4MAPTSMN1; SMN2HTT | |
| SCHEMBL6948575 | 0.85 | MGMT (0.42) | MGMTMAPTSMN1; SMN2HTTPOLB | |
| SCHEMBL6951003 | 0.84 | MGMT (0.42) | MGMTMAPTSMN1; SMN2HTTPOLB | |
| SCHEMBL6945292 | 0.84 | MGMT (0.45) | MGMTMAPTSMN1; SMN2HTTPOLB | |
| SCHEMBL6957503 | 0.83 | MGMT (0.44) | MGMTHRH4MAPTSMN1; SMN2HTT | |
| SCHEMBL6945500 | 0.83 | ALDH1A1 (0.48) | CYP19A1POLBKMT2AMEN1 |
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 |