Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 16/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.40 |
| ▸ | HRH1 | P35367 | 5/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.40 |
| ▸ | HRH2 | P25021 | 4/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | HTR1E | P28566 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1919543 | 0.89 | PDK2 (0.40) | PDK2TMEM97SIGMAR1HRH1HRH3 | |
| SCHEMBL8365081 | 0.80 | TMEM97 (0.41) | PDK2TMEM97SIGMAR1HRH1HRH3 | |
| SCHEMBL31505489 | 0.79 | KDM4E (0.46) | CYP2D6 | |
| SCHEMBL30481198 | 0.79 | KDM4E (0.46) | CYP2D6 | |
| SCHEMBL31398326 | 0.79 | KDM4E (0.46) | CYP2D6 | |
| SCHEMBL119822 | 0.79 | KDM4E (0.46) | CYP2D6 | |
| Water SCHEMBL4955373 | 0.78 | KDM4E (0.45) | HRH1HTR1AHTR2ACYP2D6DRD4 | |
| SCHEMBL1920229 | 0.76 | KMT2A (0.41) | PDK2CYP2D6DRD2DRD4SSTR1 | |
| SCHEMBL28078038 | 0.76 | KDM4E (0.44) | CYP2D6 | |
| SCHEMBL1920866 | 0.76 | KDM4E (0.46) | PDK2CYP2D6DRD2DRD4SSTR1 |
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-2326666-A1 | NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010031707-A1 | NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |