Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6304308 | 0.77 | TDP1 (0.44) | MEN1NPC1LMNAPOLBGAA | |
| SCHEMBL5159004 | 0.74 | MAPT (0.48) | MEN1NPC1GAAMAPTRAB9A | |
| SCHEMBL30713468 | 0.72 | MAPT (0.46) | MEN1NPC1POLBGAAMAPT | |
| SCHEMBL10972430 | 0.71 | MAPT (0.37) | MEN1NPC1LMNAPOLBGAA | |
| SCHEMBL1992456 | 0.69 | CYP2A6 (0.45) | MEN1LMNAPOLBMAPTKMT2A | |
| SCHEMBL9078265 | 0.68 | ALDH1A1 (0.39) | MEN1NPC1LMNAPOLBGAA | |
| SCHEMBL9078450 | 0.68 | ALDH1A1 (0.39) | MEN1NPC1LMNAPOLBGAA | |
| SCHEMBL25231593 | 0.62 | DYRK1A (0.46) | MEN1NPC1LMNAPOLBGAA | |
| SCHEMBL18267362 | 0.61 | MAPT (0.43) | MEN1NPC1LMNAPOLBMAPT | |
| SCHEMBL13271196 | 0.61 | NQO2 (0.44) | MEN1LMNAGAAMAPTRAB9A |
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-2509983-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011060207-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2011-05-19 | — | — | WO | disclosed |