Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 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 | |
|---|---|---|---|---|
| SCHEMBL20423361 | 0.77 | NQO1 (0.46) | NQO1GAAMAPTIDH1KDM4E | |
| SCHEMBL19144947 | 0.74 | NQO1 (0.47) | NQO1GAAIDH1KDM4EMEN1 | |
| SCHEMBL28103637 | 0.74 | POLB (0.46) | GAAMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL452416 | 0.74 | NQO1 (0.47) | NQO1GAAMAPTKDM4EMEN1 | |
| SCHEMBL31432803 | 0.74 | NQO1 (0.47) | NQO1GAAMAPTKDM4EMEN1 | |
| SCHEMBL11916706 | 0.73 | NQO1 (0.46) | NQO1GAAMAPTIDH1KDM4E | |
| SCHEMBL2250818 | 0.73 | NQO1 (0.46) | NQO1GAAIDH1KDM4EMEN1 | |
| SCHEMBL17797078 | 0.73 | NQO2 (0.35) | GAAMAPTMEN1KMT2ANQO2 | |
| SCHEMBL18628783 | 0.73 | NQO1 (0.46) | NQO1MAPTIDH1KDM4EMEN1 | |
| SCHEMBL19117561 | 0.70 | NQO1 (0.44) | NQO1GAAIDH1KDM4EMEN1 |
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-106061950-B | The manufacturing method of pyrazole compound | 住友化学株式会社 | 2019-05-03 | — | — | CN | disclosed |