Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 3/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 8/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL980667 | 0.81 | CYP1A2 (0.40) | NPBWR1CYP3A4GAAKMT2AHTR2A | |
| SCHEMBL1550906 | 0.78 | NPBWR1 (0.59) | PDE1APDE1BPDE1CNPBWR1MCHR1 | |
| SCHEMBL979263 | 0.75 | HTR3A (0.38) | KMT2A | |
| SCHEMBL24574648 | 0.75 | ALDH1A1 (0.38) | PDE1APDE1BPDE1CCYP3A4GAA | |
| SCHEMBL978625 | 0.73 | KMT2A (0.44) | PDE1APDE1BPDE1CGAAKMT2A | |
| SCHEMBL24575300 | 0.73 | GAA (0.37) | PDE1APDE1BPDE1CGAAKMT2A | |
| SCHEMBL22579477 | 0.73 | KDM4E (0.45) | GAAKMT2A | |
| SCHEMBL24574764 | 0.70 | CNR2 (0.44) | GAAKMT2ADRD2DRD4 | |
| SCHEMBL4767149 | 0.69 | AURKA (0.50) | PDE1APDE1BPDE1CNPBWR1HTR2A | |
| SCHEMBL13763660 | 0.69 | PDE1A (0.54) | PDE1APDE1BPDE1CNPBWR1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456765-B1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-05-01 | — | — | EP | disclosed |
| US-8334287-B2 | Imidazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-12-18 | — | — | US | disclosed |
| EP-2456765-A1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011006910-A1 | IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015202-A1 | IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-01-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110015202-A1 | IMIDAZOLES | GRM5, GRM1, GRIK5 | PDE1A 1233/4885PDE1B 1043/4885PDE1C 1444/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.