Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 2/20 | 0.33 |
| ▸ | ATF4 | P18848 | 4/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8463096 | 0.85 | SOS1 (0.42) | SLC6A4HTR2AKCNH2GPR3ALDH1A1 | |
| SCHEMBL10598726 | 0.84 | HSP90AA1 (0.41) | FFAR4SLC6A4HTR2AKCNH2MAPT | |
| SCHEMBL11065683 | 0.84 | FFAR4 (0.48) | PPARGPPARAFFAR4SLC6A4HTR2A | |
| SCHEMBL10709853 | 0.79 | IDO1 (0.45) | PPARGPPARAGPR84 | |
| SCHEMBL6764225 | 0.78 | SLC6A4 (0.41) | PPARGPPARAFFAR4SLC6A4HTR2A | |
| SCHEMBL7931553 | 0.78 | — | — | |
| SCHEMBL8459930 | 0.77 | — | — | |
| SCHEMBL23519082 | 0.77 | PPARA (0.48) | PPARGPPARAFFAR4SLC6A4KCNH2 | |
| SCHEMBL8460205 | 0.74 | — | — | |
| SCHEMBL7931525 | 0.73 | PPARA (0.44) | PPARGPPARAHTR2ACYP1A2CYP3A4 |
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-5981789-A | CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD | OCCIDENTAL CHEMICAL CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |
| US-4704483-A | FLUORINATION WITH POTASSIUM FLUORIDE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1987-11-03 | — | — | US | disclosed |
| US-4582948-A | VAPOR PHASE CHLORO-DENITRATION REACTION | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-04-15 | — | — | US | disclosed |
| EP-0159388-A2 | Preparation of nuclear chlorinated compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1985-10-30 | — | — | EP | disclosed |
| US-4470930-A | Preparation of nuclear chlorinated aromatic compounds | OCCIDENTAL CHEMICAL CORPORATION (US) | 1984-09-11 | — | — | US | disclosed |