Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7085612 | 0.87 | TAAR1 (0.40) | NQO2GAAHPGDNR3C2ALDH1A1 | |
| SCHEMBL6320838 | 0.86 | NR3C2 (0.43) | NQO2LMNAGAANR3C2KDM4E | |
| SCHEMBL19085130 | 0.86 | NR3C2 (0.40) | NQO2BCHENR3C2CCR2 | |
| SCHEMBL6492788 | 0.85 | NR3C2 (0.45) | NQO2NR3C2CCR2 | |
| SCHEMBL23666952 | 0.84 | NR3C2 (0.42) | NQO2LMNAGAANR3C2KDM4E | |
| Hydrochloric Acid SCHEMBL28586309 | 0.84 | NR3C2 (0.44) | NQO2NR3C2CCR2 | |
| SCHEMBL31505328 | 0.84 | NQO2 (0.54) | NQO2BCHENAMPTLMNAGAA | |
| SCHEMBL4076010 | 0.83 | CHRNB2 (0.51) | NR3C2CYP1A2CYP2C9CCR2 | |
| SCHEMBL465792 | 0.83 | CCR2 (0.42) | GAANR3C2CCR2 | |
| SCHEMBL30396325 | 0.83 | CCR2 (0.42) | GAANR3C2CCR2 |
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-107709301-B | Pyrazole derivative or pharmacologically acceptable salt thereof | 橘生药品工业株式会社 | 2021-06-22 | — | — | CN | disclosed |