Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12112873 | 0.83 | MAPT (0.58) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL3142955 | 0.78 | ALDH1A1 (0.65) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL11976487 | 0.78 | KDM4E (0.62) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL50715 | 0.77 | KDM4E (0.66) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL29398625 | 0.77 | KDM4E (0.66) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL3320129 | 0.77 | ALDH1A1 (0.63) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL11976486 | 0.77 | ALDH1A1 (0.63) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL1686110 | 0.76 | KDM4E (0.64) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL347181 | 0.76 | KDM4E (0.64) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 | |
| SCHEMBL31275980 | 0.76 | KDM4E (0.69) | CYP2A6KDM4ENPC1ALDH1A1CYP1A2 |
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-108239028-A | A kind of preparation method of Etoricoxib impurity and application | 江苏先声药业有限公司 | 2018-07-03 | — | — | CN | disclosed |