Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27630789 | 0.85 | PTGS2 (0.52) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL28332047 | 0.76 | PTGS2 (0.54) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL4183608 | 0.72 | PSIP1 (0.59) | PTGS2PSIP1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL4199854 | 0.71 | CA1 (0.59) | PTGS2PSIP1CA12CA1CA2 | |
| SCHEMBL201356 | 0.71 | PSIP1 (0.65) | PTGS2PSIP1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL353075 | 0.69 | CA2 (0.65) | PTGS2PSIP1CA12CA1CA2 | |
| SCHEMBL28290158 | 0.68 | PTGS2 (0.40) | PTGS2PTGS1PSIP1CA12CA1 | |
| SCHEMBL28290157 | 0.66 | PTGS2 (0.52) | PTGS2PTGS1PSIP1CA12CA1 | |
| SCHEMBL2680954 | 0.64 | PSIP1 (0.55) | PTGS2PSIP1CA12CA1CA2 | |
| SCHEMBL28476756 | 0.62 | ST14 (0.57) | ALDH1A1PSIP1CA12CA1CA2 |
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-108864003-A | A kind of preparation method of imrecoxib intermediate and imrecoxib | 江苏美迪克化学品有限公司 | 2018-11-23 | — | — | CN | disclosed |