Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25024158 | 0.92 | MAPT (0.39) | ADORA2AADORA1MAPTPDE4APDE4C | |
| SCHEMBL23581680 | 0.92 | MAPT (0.41) | ADORA2AADORA1MAPTPDE4APDE4C | |
| SCHEMBL20962149 | 0.88 | CA1 (0.34) | MAPTNPC1LMNARECQLRAB9A | |
| SCHEMBL635407 | 0.85 | MAPT (0.49) | ADORA2AADORA1MAPTNPC1RAB9A | |
| SCHEMBL29560409 | 0.85 | MAPT (0.49) | ADORA2AADORA1MAPTNPC1RAB9A | |
| SCHEMBL25263366 | 0.84 | CA1 (0.35) | ADORA2AADORA1MAPTSMN1; SMN2ALOX5 | |
| SCHEMBL16690527 | 0.83 | ADORA2A (0.37) | ADORA2AADORA1PDE4APDE4CPDE4D | |
| SCHEMBL22639447 | 0.83 | CA1 (0.33) | ABCG2 | |
| SCHEMBL23020149 | 0.82 | ALOX15 (0.36) | ADORA2AADORA1LMNAABCG2MEN1 | |
| SCHEMBL13233209 | 0.82 | ESR1 (0.46) | ADORA2AADORA1PDE4APDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-3392242-B1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG CHEMICAL LTD (KR) | 2021-02-24 | — | — | EP | disclosed |