Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 6/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11550694 | 0.80 | CYP2A6 (0.60) | CYP2A6PGRMIFCA9NOS3 | |
| SCHEMBL7436627 | 0.78 | CYP2A6 (0.47) | CYP2A6PGRMIFCA9NOS3 | |
| SCHEMBL5028054 | 0.77 | CYP2A6 (0.46) | CYP2A6PGRMIFCA9 | |
| SCHEMBL5034778 | 0.77 | CYP2A6 (0.46) | CYP2A6PGRMIFCA9NOS3 | |
| SCHEMBL15842472 | 0.76 | MIF (0.71) | CYP2A6PGRMIFCA9NOS3 | |
| SCHEMBL9431131 | 0.74 | PGR (0.63) | CYP2A6PGRCA9NOS3NOS1 | |
| SCHEMBL12095269 | 0.74 | CYP2A6 (0.53) | CYP2A6PGRMIFCA9NOS3 | |
| SCHEMBL18585563 | 0.74 | CYP2A6 (0.43) | CYP2A6PGRMIFCA9NOS3 | |
| SCHEMBL2096423 | 0.74 | CYP2A6 (0.43) | CYP2A6PGRMIFCA9NOS3 | |
| SCHEMBL5034728 | 0.74 | HTR2B (0.44) | CYP2A6PGRMIFCA9 |
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-2016000599-A1 | C-BENZO FIVE-MEMBERED HETEROAROMATIC RING ARYL GLUCOSIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海阳帆医药科技有限公司 | 2016-01-07 | — | — | WO | disclosed |