Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21546808 | 0.95 | ADORA2A (0.36) | ADORA2AADORA1ADORA2BALDH1A3CYP1A2 | |
| SCHEMBL21546789 | 0.93 | ALDH1A1 (0.39) | ADORA2AADORA1ADORA2BALDH1A3PDE9A | |
| SCHEMBL21546721 | 0.93 | ADORA2A (0.36) | ADORA2AADORA1ADORA2BALDH1A3PDE9A | |
| SCHEMBL21414257 | 0.92 | PDE9A (0.37) | PDE9APDE1CBCHEACHEALDH1A1 | |
| SCHEMBL21546763 | 0.90 | ADORA2A (0.39) | ADORA2AADORA1ADORA2BALDH1A3CYP1A2 | |
| SCHEMBL22760703 | 0.90 | MAP4K4 (0.40) | ADORA2AADORA1ADORA2BALDH1A3CYP1A2 | |
| SCHEMBL21546457 | 0.90 | ADORA2A (0.42) | ADORA2AADORA1ADORA2BALDH1A3CYP1A2 | |
| SCHEMBL22761058 | 0.88 | CYP1A2 (0.41) | ADORA2AADORA1ADORA2BALDH1A3CYP1A2 | |
| SCHEMBL22760894 | 0.88 | MAP4K4 (0.38) | ADORA2AADORA1ADORA2BALDH1A3CYP1A2 | |
| SCHEMBL21546483 | 0.88 | ADORA2A (0.37) | ADORA2AADORA1ADORA2BALDH1A3CYP1A2 |
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-3478793-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-11-06 | — | — | EP | disclosed |