Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6204480 | 0.98 | SRC (0.67) | SRCCYP2D6LMNAMAPK1CYP2C19 | |
| SCHEMBL27829711 | 0.83 | SRC (0.53) | SRCCYP2D6LMNAMAPK1CYP2C19 | |
| SCHEMBL27467301 | 0.82 | SRC (0.52) | SRCCYP2D6LMNAMAPK1CYP2C19 | |
| SCHEMBL3514146 | 0.82 | SRC (0.52) | SRCCYP2D6LMNAMAPK1CYP2C19 | |
| SCHEMBL5016643 | 0.81 | SRC (0.96) | SRCCYP2D6LMNAMAPK1ACP1 | |
| SCHEMBL8032594 | 0.80 | SRC (0.47) | SRCCYP2D6LMNACYP2C19KMT2A | |
| Hydrochloric Acid SCHEMBL6647673 | 0.80 | SRC (0.50) | SRCCYP2D6LMNAMAPK1CYP2C19 | |
| SCHEMBL28566434 | 0.79 | KMT2A (0.58) | SRCLMNAPTGS1KMT2APTGS2 | |
| SCHEMBL20869602 | 0.78 | SRC (1.00) | SRCCYP2D6LMNAMAPK1CYP2C19 | |
| SCHEMBL9912818 | 0.78 | SRC (1.00) | SRCCYP2D6LMNAMAPK1CYP2C19 |
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-102898357-B | For preparing the new method of intermediate 1-(6-picoline-3-base)-2-[4-(mesyl) phenyl] ethyl ketone of Etoricoxib | 意大利合成制造有限公司 | 2016-07-06 | — | — | CN | claimed |
| CN-102898357-B | For preparing the new method of intermediate 1-(6-picoline-3-base)-2-[4-(mesyl) phenyl] ethyl ketone of Etoricoxib | 意大利合成制造有限公司 | 2016-07-06 | — | — | CN | disclosed |