Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12188015 | 0.87 | CFTR (0.48) | ADORA3KDM4ECYP1A2ADORA2AADORA1 | |
| SCHEMBL12165759 | 0.84 | ADORA3 (0.47) | LMNATSHRADORA3ALDH1A1CYP1A2 | |
| SCHEMBL12188033 | 0.82 | ADORA3 (0.39) | LMNAL3MBTL1TSHRADORA3KCNH2 | |
| SCHEMBL12188042 | 0.79 | CFTR (0.50) | ADORA3CYP1A2ADORA2AADORA1CFTR | |
| SCHEMBL12165723 | 0.79 | ADORA3 (0.49) | LMNATSHRADORA3KDM4EALDH1A1 | |
| SCHEMBL12165558 | 0.77 | ADORA2A (0.44) | ADORA3ADORA2AADORA1FGFR1 | |
| SCHEMBL12165508 | 0.74 | ADORA3 (0.53) | L3MBTL1ADORA3ALDH1A1ADORA2AADORA1 | |
| SCHEMBL12165526 | 0.73 | ADORA3 (0.48) | ADORA3PKMADORA2AADORA1 | |
| SCHEMBL12188014 | 0.72 | ADORA3 (0.55) | LMNAL3MBTL1TSHRADORA3KDM4E | |
| SCHEMBL16065954 | 0.72 | ADORA3 (0.55) | ADORA3KDM4EALDH1A1ADORA2AADORA1 |
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-8435994-B2 | Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |