Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL946953 | 0.77 | LMNA (0.50) | ALDH1A1TSHRMEN1KMT2AKDM4E | |
| SCHEMBL5776873 | 0.76 | HRH3 (0.61) | AKR1C3ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL5776872 | 0.76 | AKR1C3 (0.49) | AKR1C3ALDH1A1TSHRPKMMEN1 | |
| SCHEMBL6867994 | 0.75 | AKR1C3 (0.71) | AKR1C3ALDH1A1TSHRPKMMEN1 | |
| SCHEMBL28205415 | 0.72 | ALDH1A1 (0.45) | AKR1C3ALDH1A1PKMMEN1KMT2A | |
| SCHEMBL28140146 | 0.72 | ALDH1A1 (0.56) | AKR1C3ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL31482340 | 0.71 | ALDH1A1 (0.51) | AKR1C3ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL4397821 | 0.71 | ALDH1A1 (0.67) | AKR1C3ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL1428902 | 0.70 | ENPP2 (0.48) | AKR1C3KCNJ1KCNH2 | |
| SCHEMBL12793723 | 0.70 | POLB (0.73) | ALDH1A1TSHRMEN1KMT2AKDM4E |
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-107641089-A | A kind of preparation method of the mesyl phenylacetic acid of Etoricoxib intermediate 4 | 天津药物研究院有限公司 | 2018-01-30 | — | — | CN | claimed |
| CN-107641089-A | A kind of preparation method of the mesyl phenylacetic acid of Etoricoxib intermediate 4 | 天津药物研究院有限公司 | 2018-01-30 | — | — | CN | disclosed |