Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | EED | O75530 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6949298 | 0.79 | GRIN1 (0.37) | TYMSMEN1KMT2APOLBRAB9A | |
| SCHEMBL6952355 | 0.76 | KMT2A (0.40) | MEN1KMT2ARAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6435436 | 0.76 | MAPT (0.35) | MEN1KMT2APOLBRAB9AHTT | |
| SCHEMBL6955056 | 0.76 | PNMT (0.40) | TYMSMEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL4417547 | 0.76 | MAPT (0.58) | MEN1KMT2APOLBRAB9ASMN1; SMN2 | |
| SCHEMBL6950817 | 0.75 | TYMS (0.44) | TYMSMEN1KMT2APOLBRAB9A | |
| SCHEMBL6947740 | 0.75 | TYMS (0.44) | TYMSMEN1KMT2APOLBHTT | |
| SCHEMBL6953047 | 0.75 | MAPT (0.38) | MEN1KMT2ARAB9AHTTSMN1; SMN2 | |
| SCHEMBL4420238 | 0.75 | MAPT (0.42) | MEN1KMT2ASMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL6951060 | 0.75 | HTT (0.44) | TYMSMEN1KMT2ARAB9AHTT |
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 |