Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2590708 | 0.98 | L3MBTL1 (0.53) | L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR | |
| SCHEMBL31401059 | 0.83 | SMN1; SMN2 (0.59) | L3MBTL1SMN1; SMN2ESR1TSHRHSD17B10 | |
| SCHEMBL11809330 | 0.83 | ALDH1A1 (0.62) | L3MBTL1ALDH1A1SMN1; SMN2TDP1POLB | |
| SCHEMBL6293695 | 0.83 | SMN1; SMN2 (0.59) | L3MBTL1SMN1; SMN2ESR1TSHRHSD17B10 | |
| SCHEMBL14101003 | 0.83 | SMN1; SMN2 (0.47) | L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR | |
| SCHEMBL5405584 | 0.82 | CDC25B (0.53) | L3MBTL1SMN1; SMN2TSHRHSD17B10TDP1 | |
| SCHEMBL11893905 | 0.81 | SMN1; SMN2 (0.46) | L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR | |
| SCHEMBL10177915 | 0.81 | L3MBTL1 (0.56) | L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL27589469 | 0.81 | SMN1; SMN2 (0.46) | L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR | |
| SCHEMBL1050351 | 0.81 | PKM (0.58) | L3MBTL1ALDH1A1SMN1; SMN2ESR1TSHR |
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-A | Novel process for the preparation of 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib. | ITALIANA SINT SPA | 2013-01-30 | — | — | CN | claimed |
| CN-102898357-A | Novel process for the preparation of 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib. | ITALIANA SINT SPA | 2013-01-30 | — | — | CN | disclosed |