Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | GLS | O94925 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23402142 | 0.88 | ESR1 (0.40) | ESR1CNR1CNR2HCAR3POLB | |
| SCHEMBL23399344 | 0.86 | ADORA2A (0.39) | ADORA2AADORA2BESR1CNR1CNR2 | |
| SCHEMBL19091622 | 0.83 | ADORA2A (0.36) | ADORA2AADORA2BESR1 | |
| SCHEMBL23401138 | 0.82 | NPC1 (0.37) | ADORA2AADORA2BESR1CNR1CNR2 | |
| SCHEMBL23402391 | 0.81 | ADORA2A (0.36) | ADORA2AADORA2BESR1POLBCYP1A2 | |
| SCHEMBL23398627 | 0.79 | ADORA2B (0.44) | ADORA2AADORA2BESR1POLBCYP1A2 | |
| SCHEMBL587459 | 0.78 | — | — | |
| SCHEMBL23403172 | 0.78 | ADORA2A (0.39) | ADORA2AADORA2BESR1CNR1CNR2 | |
| SCHEMBL11647899 | 0.77 | ADORA2A (0.33) | ADORA2AADORA2BESR1CNR1CNR2 | |
| SCHEMBL18198140 | 0.77 | ADORA2A (0.41) | ADORA2AADORA2BESR1CYP1A2SLC9A1 |
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 |