Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | TACR1 | P25103 | 13/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL16986143 | 0.87 | TACR1 (0.49) | OPRM1TACR1TSHRSLC6A4KCNH2 | |
| SCHEMBL5265848 | 0.84 | OPRM1 (0.50) | OPRM1TACR1TSHRSLC6A4KCNH2 | |
| SCHEMBL21770897 | 0.78 | TACR1 (0.53) | OPRM1TACR1SLC6A4KCNH2HTR2A | |
| SCHEMBL8369864 | 0.78 | TACR1 (0.53) | OPRM1TACR1SLC6A4KCNH2HTR2A | |
| SCHEMBL373329 | 0.77 | LMNA (0.52) | OPRM1TACR1ALDH1A1 | |
| SCHEMBL4631291 | 0.77 | TACR1 (0.56) | OPRM1TACR1SLC6A4KCNH2 | |
| SCHEMBL27854090 | 0.77 | TACR1 (0.51) | OPRM1TACR1TSHRSLC6A4KCNH2 | |
| SCHEMBL2439795 | 0.76 | LMNA (0.44) | TSHRALDH1A1SLC6A4 | |
| SCHEMBL374107 | 0.76 | OPRM1 (0.46) | OPRM1TACR1TSHRSLC6A4 | |
| Hydrochloric Acid SCHEMBL7801197 | 0.76 | LMNA (0.51) | OPRM1ALDH1A1 |
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-1833800-A1 | PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | AstraZeneca AB (SE) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006071730-A1 | PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | ASTRAZENECA AB (SE) | 2006-07-06 | — | — | WO | disclosed |