Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13509079 | 0.84 | MAPK14 (0.41) | ADORA2BMAPK14IDO1ADORA2ASYK | |
| SCHEMBL13510682 | 0.84 | MAPK14 (0.43) | NSD3KDM4EADORA2BMAPK14IDO1 | |
| SCHEMBL8205966 | 0.80 | KMT2A (0.48) | NSD3KDM4EALDH1A1ADORA2BSMN1; SMN2 | |
| SCHEMBL21333215 | 0.78 | NOTUM (0.48) | ALDH1A1ADORA2BIDO1GRM5 | |
| SCHEMBL31472663 | 0.78 | NOTUM (0.48) | ALDH1A1ADORA2BIDO1GRM5 | |
| SCHEMBL8206566 | 0.74 | DHODH (0.41) | NSD3KDM4EALDH1A1GRM5PDE10A | |
| SCHEMBL8214222 | 0.72 | ADORA2A (0.53) | KDM4EALDH1A1ADORA2ASMN1; SMN2ADORA1 | |
| SCHEMBL22068158 | 0.71 | IDO1 (0.55) | ADORA2BMAPK14IDO1ADORA2ASYK | |
| SCHEMBL8214143 | 0.69 | ALDH1A1 (0.54) | KDM4EALDH1A1MAPK14ADORA2AMAPK13 | |
| SCHEMBL2524845 | 0.69 | THRB (0.54) | MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021960-A2 | TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |