Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.36 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25425757 | 0.88 | TAAR1 (0.45) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL20233318 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL7964253 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL30140311 | 0.84 | GAA (0.41) | ALDH1A1TAAR1NQO2CYP3A4NPC1 | |
| SCHEMBL5187719 | 0.78 | SMN1; SMN2 (0.44) | ALDH1A1NPC1MAPTHTTRAB9A | |
| SCHEMBL1047515 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A1CYP1B1CYP3A4CA12 | |
| SCHEMBL8698362 | 0.77 | MAPT (0.40) | ALDH1A1CYP1A1CYP1B1CYP3A4NPC1 | |
| SCHEMBL30140371 | 0.77 | MAPK1 (0.47) | ALDH1A1CYP3A4NPC1MAPTHTT | |
| SCHEMBL15334771 | 0.77 | TAAR1 (0.44) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 | |
| SCHEMBL12745839 | 0.77 | TAAR1 (0.44) | ALDH1A1TAAR1CYP1A1CYP1B1NQO2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140735-A1 | PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040524-A1 | PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS | OCCIDENTAL CHEMICAL CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |
| 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 |