Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STIM1 | Q13586 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CD38 | P28907 | 3/20 | 0.34 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7943760 | 0.87 | CD38 (0.37) | STIM1ORAI1ADORA2BALDH1A1CD38 | |
| SCHEMBL7945503 | 0.84 | TLR9 (0.37) | TLR9ADORA2BALDH1A1TMIGD3ADORA2A | |
| SCHEMBL7937861 | 0.81 | TLR9 (0.35) | TLR9ADORA2BTMIGD3ADORA2AADORA1 | |
| SCHEMBL3227728 | 0.81 | SCN8A (0.37) | STIM1ORAI1ALDH1A1CD38CYP3A4 | |
| SCHEMBL7937752 | 0.80 | ADORA2A (0.39) | ADORA2BALDH1A1ADORA2AADORA1CYP3A4 | |
| SCHEMBL7946084 | 0.66 | HRH4 (0.37) | TLR9ADORA2BALDH1A1ADORA2AADORA1 | |
| SCHEMBL7943995 | 0.62 | HSF1 (0.36) | ALDH1A1ADORA2AADORA1CYP3A4MEN1 | |
| SCHEMBL7937747 | 0.61 | HSF1 (0.35) | ALDH1A1ADORA2AADORA1CYP3A4MEN1 | |
| SCHEMBL7938416 | 0.60 | CYP1A2 (0.50) | ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL7944574 | 0.59 | HSF1 (0.36) | ADORA2BADORA2AADORA1 |
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-2010008775-A1 | AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |