Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | AGXT | P21549 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510530 | 0.83 | AGXT (0.62) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL28477303 | 0.80 | CA2 (0.42) | CYP2A6ASIC3LOXL2AGXTCHRNA7 | |
| SCHEMBL12809075 | 0.78 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL2095661 | 0.78 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL5544267 | 0.77 | CYP2A6 (0.50) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL6240752 | 0.75 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL4850745 | 0.75 | CYP2A6 (0.47) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL12741 | 0.74 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL48629 | 0.74 | CYP2A6 (0.50) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL16399948 | 0.73 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2AGXTADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104254525-B | aromatic ring compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |