Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15958626 | 0.89 | APP (0.46) | GRM5KCNH2L3MBTL1APPMEN1 | |
| SCHEMBL15958661 | 0.85 | GRM5 (0.51) | GRM5KCNH2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12669915 | 0.82 | ADORA2A (0.41) | GRM5KCNH2EGFRPDGFRBPDGFRA | |
| SCHEMBL13595046 | 0.82 | KDM4E (0.45) | EGFRADORA2AL3MBTL1MEN1KMT2A | |
| SCHEMBL12669918 | 0.76 | CYP1A2 (0.44) | GRM5KCNH2ADORA2AL3MBTL1APP | |
| SCHEMBL13595053 | 0.76 | NPC1 (0.42) | KCNH2L3MBTL1APPMEN1KMT2A | |
| SCHEMBL30829266 | 0.75 | ADORA2A (0.38) | GRM5KCNH2EGFRPDGFRBPDGFRA | |
| SCHEMBL7474377 | 0.74 | NQO2 (0.56) | HDAC6L3MBTL1MEN1KMT2AHRH4 | |
| SCHEMBL6934550 | 0.73 | MAPT (0.52) | GRM5KCNH2ADORA2AHDAC6L3MBTL1 | |
| SCHEMBL29187243 | 0.72 | ADORA2A (0.35) | GRM5KCNH2EGFRADORA2AAPP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809264-B2 | Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2014-08-19 | — | — | US | disclosed |