Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11299057 | 0.98 | GAA (0.50) | GAAALDH1A1TSHRHTTPOLB | |
| SCHEMBL6339780 | 0.98 | GAA (0.50) | GAAALDH1A1TSHRHTTPOLB | |
| SCHEMBL13529061 | 0.90 | — | — | |
| SCHEMBL4369736 | 0.82 | CHRM5 (0.49) | GAATDP1 | |
| SCHEMBL30622365 | 0.80 | KDM4E (0.55) | ALDH1A1TSHRHTTMAPTSMN1; SMN2 | |
| SCHEMBL4364895 | 0.80 | CHRM5 (0.50) | ALDH1A1TSHR | |
| SCHEMBL15227146 | 0.79 | HSD17B10 (0.59) | ALDH1A1TSHRHTTMAPTSMN1; SMN2 | |
| SCHEMBL608714 | 0.73 | ALDH1A1 (0.39) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL13363077 | 0.73 | GAA (0.43) | GAAALDH1A1HTTPOLBMAPT | |
| SCHEMBL608242 | 0.71 | GAA (0.41) | GAAALDH1A1HTTPOLBMAPT |
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-106008386-A | Method for preparing parecoxib for treating postoperative pain | 王晓岳 | 2016-10-12 | — | — | CN | disclosed |