Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 7/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2419551 | 0.86 | ALDH1A1 (0.59) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL2421945 | 0.84 | ADRA2C (0.52) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL2423409 | 0.84 | ALDH1A1 (0.53) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL2422709 | 0.83 | ALDH1A1 (0.59) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL2422479 | 0.82 | ALDH1A1 (0.58) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL2418781 | 0.81 | ALDH1A1 (0.55) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL2416818 | 0.80 | ADRA2C (0.46) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL2416819 | 0.80 | ADRA2C (0.46) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL1267065 | 0.80 | ALDH1A1 (0.56) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL4470696 | 0.79 | ADRA2C (0.70) | ADRA2CALDH1A1KDM4EL3MBTL1MAPT |
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-2112993-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS | Grünenthal GmbH (DE) | 2009-11-04 | — | — | EP | disclosed |
| WO-2008046582-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS | Grünenthal GmbH (DE) | 2008-04-24 | — | — | WO | disclosed |