Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4587169 | 0.86 | PTGS2 (0.47) | PTGS2 | |
| SCHEMBL4586952 | 0.85 | PTGS2 (0.56) | PTGS2CYP3A4CA12CA9CA2 | |
| SCHEMBL4586736 | 0.78 | ALDH1A1 (0.45) | PTGS2TDP1TP53MAPTGRM5 | |
| SCHEMBL5375 | 0.73 | PLCG1 (0.70) | PLCG1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4587361 | 0.73 | PTGS2 (0.53) | PTGS2 | |
| SCHEMBL4588076 | 0.72 | PTGS2 (0.59) | PTGS2 | |
| SCHEMBL4587680 | 0.72 | PTGS2 (0.59) | PTGS2CYP3A4CA12CA9CA2 | |
| SCHEMBL4585890 | 0.72 | PTGS2 (0.59) | PTGS2 | |
| SCHEMBL4587527 | 0.70 | PTGS2 (0.52) | PTGS2 | |
| SCHEMBL4585823 | 0.67 | PTGS1 (0.46) | PTGS2TDP1TP53MAPTKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1556364-A4 | ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME | CJ CORP (KR) | 2008-04-16 | — | — | EP | disclosed |
| EP-1556364-A1 | ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME | CJ Corp. (KR) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004035553-A1 | ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME | CJ CORP. (KR) | 2004-04-29 | — | — | WO | disclosed |