Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3941256 | 0.73 | KCNH2 (0.50) | KCNH2SMN1; SMN2ALDH1A1CYSLTR2CYSLTR1 | |
| SCHEMBL9936997 | 0.73 | HPGDS (0.50) | KCNH2CYSLTR1KDM4A | |
| SCHEMBL12726140 | 0.73 | DAO (0.45) | KCNH2DAOSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL9900670 | 0.71 | SMN1; SMN2 (0.45) | KCNH2SMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL22265220 | 0.69 | APP (0.60) | SMN1; SMN2ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL4017016 | 0.67 | RAB9A (0.46) | KCNH2DAOSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL9900502 | 0.67 | HPGDS (0.58) | SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL1149631 | 0.67 | HCAR2 (0.64) | KDM4A | |
| SCHEMBL16234233 | 0.66 | DAO (0.55) | DAOGPR84KDM4AKDM5AKDM4C | |
| SCHEMBL15210210 | 0.65 | KCNH2 (0.57) | KCNH2SMN1; SMN2ALDH1A1CYSLTR2CYSLTR1 |
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-2648723-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | Vanderbilt University (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078817-A1 | BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-06-14 | — | — | WO | disclosed |