Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CCR8 | P51685 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4322969 | 0.90 | ALDH1A1 (0.44) | ALDH1A1CCR8KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL4340795 | 0.88 | CCR8 (0.41) | ALDH1A1CCR8KDM4ETSHRMEN1 | |
| SCHEMBL27692169 | 0.87 | L3MBTL1 (0.44) | ALDH1A1KDM4ESMN1; SMN2TSHRMEN1 | |
| SCHEMBL4319479 | 0.82 | MAPT (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4318131 | 0.79 | DRD2 (0.47) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4327136 | 0.79 | OPRM1 (0.61) | — | |
| SCHEMBL13913957 | 0.78 | GRM2 (0.43) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL4325744 | 0.78 | SMN1; SMN2 (0.59) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL4325722 | 0.78 | CCR3 (0.52) | ALDH1A1ATM | |
| SCHEMBL13913961 | 0.77 | PARP1 (0.41) | — |
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 |