Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1312762 | 0.86 | SRC (0.64) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL1375360 | 0.86 | SRC (0.64) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL15455826 | 0.84 | SRC (0.61) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL11012611 | 0.84 | SRC (0.61) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL10628423 | 0.83 | SRC (0.50) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL3678814 | 0.82 | SRC (0.73) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL10677605 | 0.82 | SRC (0.73) | SRCCYP2D6LMNAMAPK1ALDH1A1 | |
| SCHEMBL7303581 | 0.82 | SRC (0.73) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL9374736 | 0.80 | SRC (0.56) | SRCCYP2D6HPGDLMNAMAPK1 | |
| SCHEMBL11680362 | 0.80 | SRC (0.56) | SRCCYP2D6LMNAMAPK1SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085425-A | Method for preparing parecoxib | KUNMING PHARMACEUTICAL GROUP | 2015-11-25 | — | — | CN | claimed |
| CN-105085425-B | A kind of method for preparing SC 69124 | 昆药集团股份有限公司 | 2018-01-30 | — | — | CN | disclosed |
| CN-105085425-A | Method for preparing parecoxib | KUNMING PHARMACEUTICAL GROUP | 2015-11-25 | — | — | CN | disclosed |
| CN-105085425-A | Method for preparing parecoxib | KUNMING PHARMACEUTICAL GROUP | 2015-11-25 | — | — | CN | disclosed |