Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | MGMT | P16455 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949967 | 0.85 | HTT (0.49) | MGMTLMNAGPR119SMN1; SMN2HTT | |
| SCHEMBL6957441 | 0.78 | HRH4 (0.42) | HRH4MGMTLMNATHRBSMN1; SMN2 | |
| SCHEMBL27631875 | 0.72 | MGMT (0.42) | MGMTLMNATHRBGPR119MAPT | |
| SCHEMBL6948779 | 0.72 | HTT (0.52) | LMNASMN1; SMN2HTTMAPTMAPK1 | |
| SCHEMBL6947729 | 0.72 | HTT (0.73) | LMNASMN1; SMN2HTTRAB9AMAPT | |
| SCHEMBL6949468 | 0.72 | HTT (0.52) | LMNASMN1; SMN2HTTRAB9AAKT2 | |
| SCHEMBL6949507 | 0.72 | HTT (0.49) | LMNAGPR119SMN1; SMN2HTTMAPT | |
| SCHEMBL6951809 | 0.71 | MEN1 (0.40) | HRH4MGMTSMN1; SMN2HTTRAB9A | |
| SCHEMBL6951855 | 0.70 | ATM (0.43) | GPR119SMN1; SMN2HTTMAPTMAPK1 | |
| SCHEMBL12733448 | 0.69 | GPR119 (0.68) | GPR119SMN1; SMN2RAB9AMAPTMAPK1 |
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 |