Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.46 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL23398731 | 0.88 | HPGD (0.38) | ADORA2AADORA2BGLSALDH1A1POLB | |
| SCHEMBL9950753 | 0.82 | LMNA (0.45) | ADORA2AADORA2BGLSALDH1A1LMNA | |
| SCHEMBL23402368 | 0.79 | ADORA2A (0.43) | ADORA2AADORA2BPOLBESR1 | |
| SCHEMBL23403211 | 0.79 | ADORA2A (0.43) | ADORA2AADORA2BPOLBESR1 | |
| SCHEMBL23401073 | 0.79 | ADORA2A (0.35) | ADORA2AADORA2BPOLBESR1GAA | |
| SCHEMBL23399385 | 0.78 | ADORA2A (0.34) | ADORA2AADORA2BPOLBESR1 | |
| SCHEMBL23402455 | 0.76 | ADORA2A (0.41) | ADORA2AADORA2BALDH1A1ESR1LMNA | |
| SCHEMBL23398445 | 0.76 | ADORA2A (0.41) | ADORA2AADORA2BESR1 | |
| SCHEMBL23400028 | 0.76 | ADORA2A (0.44) | ADORA2AADORA2BESR1APAF1 | |
| SCHEMBL23403023 | 0.76 | CNR1 (0.35) | ADORA2AADORA2BPOLBESR1 |
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-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |