Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.46 |
| ▸ | SCD5 | Q86SK9 | 4/20 | 0.44 |
| ▸ | SCD | O00767 | 3/20 | 0.44 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL30327410 | 0.85 | KDM5A (0.48) | KDM5ASCD5SCDCAMKK2MAP4K4 | |
| SCHEMBL22801354 | 0.81 | KDM5A (0.46) | KDM5ASCD5SCDCAMKK2MAP4K4 | |
| SCHEMBL22900000 | 0.78 | KDM5A (0.43) | KDM5ASCD5SCDCAMKK2MAP4K4 | |
| SCHEMBL2989106 | 0.78 | GPR119 (0.55) | KDM5A | |
| SCHEMBL1740411 | 0.78 | HSD11B1 (0.49) | KDM5ASCD5SCDCHRNB2CHRNB4 | |
| SCHEMBL31228434 | 0.78 | HSD11B1 (0.49) | KDM5ASCD5SCDCHRNB2CHRNB4 | |
| SCHEMBL12049775 | 0.75 | KDM5A (0.39) | KDM5AMAP4K4PDE9AGSK3B | |
| SCHEMBL2720172 | 0.75 | SCD5 (0.49) | SCD5SCDGAARECQLNPC1 | |
| SCHEMBL1740554 | 0.75 | CYP2C9 (0.46) | SCD5SCDMAP4K4GRM1PDE10A | |
| SCHEMBL19961320 | 0.73 | ALDH1A1 (0.63) | KDM5A |
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-2389382-A1 | Amino-heterocyclic compounds used as pde9 inhibitors | Pfizer Inc. (US) | 2011-11-30 | — | — | EP | disclosed |
| US-8041687-B2 | Dynamic generation of XML Schema for backend driven data validation | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2011-10-18 | — | — | US | disclosed |
| WO-2010084438-A1 | AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS | PFIZER INC. (US) | 2010-07-29 | — | — | WO | disclosed |