Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 2/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL30749724 | 0.78 | PTGS2 (0.51) | PTGS2ESR1ESR2PBRM1CYP3A4 | |
| SCHEMBL3754190 | 0.78 | PTGS2 (0.51) | PTGS2ESR1ESR2PBRM1CYP3A4 | |
| SCHEMBL8126896 | 0.74 | PTGS2 (0.51) | PTGS2ESR1ESR2PBRM1CYP3A4 | |
| SCHEMBL3274826 | 0.70 | MAPKAPK2 (0.51) | PTGS2ESR1ESR2CYP3A4CA2 | |
| Homogenestic Acid Lactone SCHEMBL2460842 | 0.68 | MAOA (0.49) | PTGS2CYP3A4MAOAMAOBMAPKAPK2 | |
| Homogenestic Acid Lactone SCHEMBL31756861 | 0.68 | MAOA (0.49) | PTGS2CYP3A4MAOAMAOBMAPKAPK2 | |
| SCHEMBL281830 | 0.67 | PRKCI (0.56) | ESR1ESR2CYP3A4MAOAMAOB | |
| SCHEMBL30513267 | 0.64 | AKT1 (0.56) | ESR1ESR2MAOAMAOBALDH1A1 | |
| SCHEMBL3184205 | 0.64 | AKT1 (0.56) | ESR1ESR2MAOAMAOBALDH1A1 | |
| SCHEMBL459693 | 0.64 | CTNNB1 (0.49) | ESR1ESR2CYP3A4MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0547523-B1 | Ethanolates of 6-sulfonylsubstituted 3-hydroxychromanes and their use as inhalation means for illnesses | HOECHST AG (DE) | 1995-05-17 | — | — | EP | disclosed |
| EP-0547523-A1 | Ethanolates of 6-sulfonylsubstituted 3-hydroxychromanes and their use as inhalation means for illnesses | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-06-23 | — | — | EP | disclosed |