Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2935480 | 0.84 | NPSR1 (0.50) | NPSR1ATMTDP1L3MBTL1POLB | |
| SCHEMBL4210468 | 0.81 | NPSR1 (0.46) | NPSR1ATMTDP1L3MBTL1POLB | |
| SCHEMBL11245673 | 0.80 | NPSR1 (0.42) | NPSR1ATMTDP1L3MBTL1POLB | |
| SCHEMBL9353496 | 0.79 | ALDH1A1 (0.41) | NPSR1ATMTDP1L3MBTL1POLB | |
| SCHEMBL29156070 | 0.79 | ATM (0.41) | NPSR1ATMTDP1L3MBTL1POLB | |
| SCHEMBL27959135 | 0.79 | L3MBTL1 (0.46) | NPSR1ATMTDP1L3MBTL1KMT2A | |
| SCHEMBL11264516 | 0.79 | POLB (0.49) | NPSR1ATMTDP1L3MBTL1POLB | |
| Acetic Acid SCHEMBL27814143 | 0.79 | NPSR1 (0.41) | NPSR1ATMTDP1L3MBTL1POLB | |
| SCHEMBL741752 | 0.77 | NPSR1 (0.64) | NPSR1ATMTDP1L3MBTL1POLB | |
| SCHEMBL27734421 | 0.75 | MEN1 (0.56) | NPSR1ATMPOLBKMT2ATSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104788362-A | Preparation method of etoricoxib or pharmaceutically acceptable salts thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-22 | — | — | CN | claimed |
| CN-104761489-A | Method for preparing etoricoxib and pharmaceutically acceptable salt thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-08 | — | — | CN | claimed |
| CN-104788362-A | Preparation method of etoricoxib or pharmaceutically acceptable salts thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-22 | — | — | CN | disclosed |
| CN-104761489-A | Method for preparing etoricoxib and pharmaceutically acceptable salt thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-08 | — | — | CN | disclosed |
| CN-104761489-A | Method for preparing etoricoxib and pharmaceutically acceptable salt thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-08 | — | — | CN | disclosed |