Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2420669 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2AADRA2CGAA | |
| SCHEMBL2422137 | 0.74 | ADRA2C (0.50) | ALDH1A1MAPTKMT2AADRA2CMEN1 | |
| SCHEMBL3865162 | 0.70 | ADRA2C (0.43) | ALDH1A1MAPTKMT2AADRA2CMEN1 | |
| SCHEMBL2416157 | 0.70 | KMT2A (0.44) | ALDH1A1MAPTKMT2AADRA2CGAA | |
| SCHEMBL2420740 | 0.65 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2AMAPK1MEN1 | |
| SCHEMBL13263593 | 0.64 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2AADRA2CGAA | |
| SCHEMBL2418514 | 0.64 | KMT2A (0.45) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2417739 | 0.64 | KMT2A (0.52) | ALDH1A1MAPTKMT2AGAAMAPK1 | |
| SCHEMBL2419520 | 0.64 | ADRA2C (0.47) | ALDH1A1MAPTKMT2AADRA2CMEN1 | |
| SCHEMBL2418919 | 0.64 | ALDH1A1 (0.54) | ALDH1A1MAPTKMT2AADRA2CGAA |
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 |