Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.57 |
| ▸ | HTR2C | P28335 | 3/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7684151 | 1.00 | GRIN2B (0.57) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| SCHEMBL8091907 | 1.00 | GRIN2B (0.57) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| SCHEMBL1299524 | 0.96 | HTR2C (0.59) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| SCHEMBL1299103 | 0.96 | HTR2C (0.59) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| SCHEMBL1299100 | 0.96 | HTR2C (0.59) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| Hydrochloric Acid SCHEMBL1298856 | 0.95 | HTR2C (0.58) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| Hydrochloric Acid SCHEMBL1298852 | 0.95 | HTR2C (0.58) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| Hydrochloric Acid SCHEMBL1299210 | 0.95 | HTR2C (0.58) | GRIN2BHTR2CCHRNA7SIGMAR1GRIN1 | |
| SCHEMBL7676226 | 0.93 | HTR2C (0.58) | GRIN2BHTR2CCHRNA7SIGMAR1DRD3 | |
| SCHEMBL2165836 | 0.89 | SIGMAR1 (0.58) | GRIN2BSIGMAR1GRIN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1060169-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES | AstraZeneca AB (SE) | 2000-12-20 | — | — | EP | claimed |
| WO-1999032461-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES | ASTRAZENECA UK LIMITED (GB) | 1999-07-01 | — | — | WO | claimed |