Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL2093471 | 0.74 | CYP2A6 (0.42) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL28741075 | 0.74 | CA1 (0.44) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL8712457 | 0.73 | CYP2A6 (0.41) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL8713430 | 0.71 | CA1 (0.41) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL8895917 | 0.71 | CYP2A6 (0.40) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL28149963 | 0.71 | CYP1A2 (0.42) | CYP2A6KDM4EALDH1A1GAA | |
| SCHEMBL27334497 | 0.71 | CYP2A6 (0.37) | CYP2A6KDM4EALDH1A1NOS1 | |
| SCHEMBL28149904 | 0.71 | CYP1A2 (0.37) | CYP2A6 | |
| SCHEMBL13037656 | 0.71 | CA2 (0.55) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL9674165 | 0.70 | CYP2A6 (0.39) | CYP2A6CA1CA2IMPDH2IMPDH1 |
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-106572659-B | Harmful arthropod agent for preventing and eliminating containing amide compound | 住友化学株式会社 | 2019-05-10 | — | — | CN | disclosed |