Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | LDHB | P07195 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10826440 | 0.85 | SHBG (0.46) | PTGS1PTGS2SHBGESR1ESR2 | |
| SCHEMBL10826318 | 0.85 | SHBG (0.46) | PTGS1PTGS2SHBGESR1ESR2 | |
| SCHEMBL70636 | 0.84 | SHBG (0.55) | PTGS1PTGS2SHBGESR1ESR2 | |
| SCHEMBL10826441 | 0.83 | ALOX5 (0.47) | PTGS1PTGS2SHBGESR1ESR2 | |
| SCHEMBL10826065 | 0.83 | PTGS1 (0.44) | PTGS1PTGS2SHBGESR1ESR2 | |
| SCHEMBL3032085 | 0.82 | SHBG (0.53) | PTGS1PTGS2SHBGESR1ESR2 | |
| SCHEMBL10944102 | 0.81 | ESR1 (0.50) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL6345069 | 0.81 | HMGB1 (0.47) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL10826347 | 0.79 | AKR1C2 (0.41) | SHBGESR1ESR2HMGB1CXCL12 | |
| SCHEMBL1176784 | 0.76 | ESR1 (0.60) | PTGS1PTGS2SHBGESR1ESR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4593040-A | Mixture of 2-chloro-6-methyl-4-benzylphenol and carbenazim | VEB BERLIN-CHEMIE (DD) | 1986-06-03 | — | — | US | disclosed |
| EP-0068442-B1 | AGENT, ITS APPLICATION AND PROCESS FOR COMBATING PHYTOPATHOGENIC FUNGI AND BACTERIA | VEB Berlin-Chemie (DD) | 1986-03-05 | — | — | EP | disclosed |
| US-4532367-A | Antimicrobially effective derivatives of phenol and methods for their production | VEB JENAPHARM (DD) | 1985-07-30 | — | — | US | disclosed |
| EP-0069374-A2 | Phenolic compounds, process for their preparation and pharmaceutical compositions containing them | JENAPHARM GmbH (DE) | 1983-01-12 | — | — | EP | disclosed |
| EP-0068442-A1 | Agent, its application and process for combating phytopathogenic fungi and bacteria | VEB Berlin-Chemie (DD) | 1983-01-05 | — | — | EP | disclosed |