Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | MMP16 | P51512 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16316789 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8993602 | 0.79 | CYP3A4 (0.35) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28748849 | 0.79 | HTR2A (0.49) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23270956 | 0.78 | CYP3A4 (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6632884 | 0.78 | CYP3A4 (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27991976 | 0.74 | LMNA (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1106525 | 0.74 | L3MBTL1 (0.52) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26982399 | 0.74 | CA1 (0.34) | HTR2AHTR2CKCNH2L3MBTL1CASP1 | |
| SCHEMBL5618308 | 0.72 | ESR1 (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27718384 | 0.72 | CYP3A4 (0.40) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104803956-A | Synthesis method of firocoxib | Jiangsu tianhe pharmaceutical co ltd | 2015-07-29 | — | — | CN | claimed |
| CN-104803956-A | Synthesis method of firocoxib | Jiangsu tianhe pharmaceutical co ltd | 2015-07-29 | — | — | CN | disclosed |