Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | CTRC | Q99895 | 1/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.43 |
| ▸ | SLC5A2 | P31639 | 8/20 | 0.38 |
| ▸ | SLC5A1 | P13866 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16018686 | 0.85 | CYP2A6 (0.50) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL16018598 | 0.82 | CYP2A6 (0.50) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL28202035 | 0.82 | CYP2A6 (0.46) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL153235 | 0.82 | CYP2A6 (0.46) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL28954990 | 0.82 | CYP2A6 (0.47) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL28856541 | 0.80 | CYP2A6 (0.44) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL28201450 | 0.79 | CYP2A6 (0.50) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL28954986 | 0.79 | CYP2A6 (0.50) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL28201924 | 0.79 | CYP2A6 (0.43) | CYP2A6ADRB2ASIC3LOXL2CTRC | |
| SCHEMBL16018639 | 0.79 | CYP2A6 (0.47) | CYP2A6ADRB2ASIC3LOXL2CTRC |
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-103214471-B | The preparation method of compound with Na-dependent glucose transporter inhibitory activity | 田边三菱制药株式会社 | 2018-02-06 | — | — | CN | disclosed |