Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SCD5 | Q86SK9 | 3/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30782001 | 0.82 | CHRNB2 (0.37) | PDE10ASCD5SCDL3MBTL1NAMPT | |
| SCHEMBL25295913 | 0.79 | HDAC4 (0.36) | KDM4ECYP2C19L3MBTL1ALDH1A1TDP1 | |
| SCHEMBL1742207 | 0.79 | HSD11B1 (0.41) | PDE10AKMT2A | |
| SCHEMBL31228434 | 0.78 | HSD11B1 (0.49) | PDE10ASCD5SCDL3MBTL1LMNA | |
| SCHEMBL1740411 | 0.78 | HSD11B1 (0.49) | PDE10ASCD5SCDL3MBTL1LMNA | |
| SCHEMBL2595709 | 0.74 | HCAR2 (0.46) | PDE10ACYP2C19NAPRTGRM1 | |
| SCHEMBL2590271 | 0.74 | PDE10A (0.46) | PDE10AKDM4ESCD5SCDALDH1A1 | |
| SCHEMBL20473449 | 0.72 | CHRM2 (0.49) | KDM4EL3MBTL1ALDH1A1KMT2A | |
| SCHEMBL9988452 | 0.72 | PDE10A (0.62) | PDE10AKDM4ELMNAALDH1A1SLC6A7 | |
| SCHEMBL2595721 | 0.72 | PDE10A (0.62) | PDE10A |
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 |