Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL30408417 | 0.79 | HTT (0.41) | CA1CA2HTTDYRK1AGSK3B | |
| Hydrochloric Acid SCHEMBL30557203 | 0.77 | HTT (0.40) | CA1CA2HTTDYRK1AGSK3B | |
| SCHEMBL30549447 | 0.76 | PARP1 (0.42) | KDM4EALDH1A1POLBMAPTKMT2A | |
| SCHEMBL1727666 | 0.74 | KDM4E (0.52) | KDM4E | |
| SCHEMBL30951595 | 0.74 | KDM4E (0.52) | KDM4E | |
| SCHEMBL1661234 | 0.73 | TRPA1 (0.40) | CA1CA2HTTLRRK2DYRK1A | |
| SCHEMBL14830829 | 0.69 | IRAK4 (0.39) | GSK3BHPGDS | |
| SCHEMBL4932780 | 0.68 | LMNA (0.40) | HTTGSK3BKDM4EMAPT | |
| SCHEMBL16132482 | 0.68 | CCR1 (0.55) | CA1CA2HTTLRRK2KDM4E | |
| SCHEMBL23832886 | 0.66 | HTT (0.46) | CA1CA2HTTLRRK2DYRK1A |
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-2490692-A1 | QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-08-29 | — | — | EP | claimed |
| WO-2011049731-A1 | QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-04-28 | — | — | WO | claimed |