Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7937246 | 0.84 | ENPP2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL444872 | 0.82 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL7938041 | 0.81 | PTGS2 (0.55) | PTGS2HSD11B1PTGS1 | |
| SCHEMBL8797260 | 0.80 | PTGS2 (0.50) | PTGS2PTGS1 | |
| Water SCHEMBL27918427 | 0.80 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL7929127 | 0.79 | ESR1 (0.59) | HSD11B1 | |
| SCHEMBL9025037 | 0.79 | PTGS2 (0.53) | PTGS2HSD11B1PTGS1 | |
| SCHEMBL8941680 | 0.77 | PTGS2 (0.46) | PTGS2HSD11B1PTGS1 | |
| SCHEMBL863126 | 0.76 | PTGS2 (0.68) | PTGS2 | |
| SCHEMBL7938593 | 0.76 | PTGS2 (0.62) | PTGS2HSD11B1PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |