Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL14756257 | 0.86 | CYP2A6 (0.42) | CYP2A6ASIC3LOXL2AGXTTAAR1 | |
| SCHEMBL14756124 | 0.79 | CYP2A6 (0.42) | CYP2A6ASIC3LOXL2AGXTTAAR1 | |
| SCHEMBL4889443 | 0.76 | CYP2A6 (0.71) | CYP2A6ASIC3LOXL2AGXTTAAR1 | |
| SCHEMBL15981425 | 0.75 | CYP2A6 (0.39) | CYP2A6ASIC3LOXL2AGXTCA2 | |
| SCHEMBL15981444 | 0.73 | CYP2A6 (0.38) | CYP2A6ASIC3LOXL2AGXTTAAR1 | |
| SCHEMBL14756825 | 0.70 | GPR35 (0.43) | CYP2A6ASIC3LOXL2TAAR1ADRB2 | |
| SCHEMBL10673407 | 0.69 | CYP2A6 (0.67) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL9116915 | 0.68 | HSP90AA1 (0.45) | CYP2A6ASIC3LOXL2AGXTTAAR1 | |
| SCHEMBL793482 | 0.68 | CYP2A6 (0.42) | CYP2A6ASIC3LOXL2AGXTTAAR1 | |
| SCHEMBL14756356 | 0.68 | LOXL2 (0.42) | LOXL2AGXTCA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013033268-A2 | BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME | COFERON, INC. (US) | 2013-03-07 | — | — | WO | disclosed |