Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 13/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.44 |
| ▸ | NQO2 | P16083 | 7/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9343168 | 1.00 | PTGS1 (0.44) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8396862 | 0.86 | CYP3A4 (0.46) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8396860 | 0.86 | CYP3A4 (0.46) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8827302 | 0.74 | PTGS1 (0.46) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8827308 | 0.74 | PTGS1 (0.46) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8827032 | 0.72 | PTGS1 (0.40) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8827373 | 0.72 | GSK3B (0.41) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8827370 | 0.72 | GSK3B (0.41) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL8827023 | 0.72 | PTGS1 (0.40) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL6495133 | 0.71 | IDO1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5342904-A | Polymer modified adducts of epoxy resins and active hydrogen containing compounds containing mesogenic moieties | THE DOW CHEMICAL COMPANY (US) | 1994-08-30 | — | — | US | claimed |