Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL557824 | 0.91 | APP (0.51) | TMIGD3ADORA2AADORA2BADORA1LMNA | |
| SCHEMBL3952920 | 0.89 | HPGD (0.49) | HPGDTLR8TLR7CYP1A2CYP2D6 | |
| SCHEMBL18627615 | 0.82 | LDHA (0.54) | LMNAAPP | |
| SCHEMBL557825 | 0.79 | APP (0.51) | TMIGD3ADORA2AADORA2BADORA1LMNA | |
| SCHEMBL23461169 | 0.75 | APP (0.47) | TMIGD3ADORA2AADORA2BADORA1LMNA | |
| SCHEMBL29904352 | 0.75 | APP (0.47) | TMIGD3ADORA2AADORA2BADORA1LMNA | |
| SCHEMBL6212947 | 0.73 | APP (0.48) | HPGDCYP1A2CYP2D6CYP2C19TMIGD3 | |
| SCHEMBL3955508 | 0.73 | ATR (0.49) | HPGDCYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL12146478 | 0.71 | ATR (0.35) | — | |
| SCHEMBL15435182 | 0.71 | HPGD (0.70) | HPGDTMIGD3ADORA2AADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2078016-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051493-A2 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |