Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 9/20 | 0.44 |
| ▸ | DRD4 | P21917 | 9/20 | 0.44 |
| ▸ | HTR1A | P08908 | 8/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20139964 | 0.88 | KDM5A (0.58) | KDM5APDE10ADRD2DRD4HTR1A | |
| SCHEMBL20139993 | 0.84 | DRD2 (0.54) | KDM5ADRD2DRD4HTR1AKCNH2 | |
| SCHEMBL23089080 | 0.81 | GAA (0.36) | KDM5AALDH1A1CNR2 | |
| SCHEMBL3001502 | 0.80 | GRM5 (0.48) | KDM5ADRD2DRD4HTR1AKCNH2 | |
| SCHEMBL31232914 | 0.80 | GRM5 (0.48) | KDM5ADRD2DRD4HTR1AKCNH2 | |
| SCHEMBL3701974 | 0.76 | AKT1 (0.48) | KDM5A | |
| SCHEMBL1740411 | 0.73 | HSD11B1 (0.49) | KDM5APDE10A | |
| SCHEMBL31228434 | 0.73 | HSD11B1 (0.49) | KDM5APDE10A | |
| SCHEMBL15087991 | 0.73 | CCR1 (0.48) | KDM5ADRD2DRD4HTR1AKCNH2 | |
| SCHEMBL2757250 | 0.73 | CCR1 (0.48) | DRD2DRD4HTR1AKCNH2KDM4E |
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 |