Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Chlorobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.46 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27677153 | 0.95 | TSHR (0.55) | TSHRGLRA1SLC6A9OR51E2MIF | |
| Chlorobenzene SCHEMBL11769266 | 0.93 | TSHR (0.52) | TSHRGLRA1SLC6A9OR51E2MIF | |
| Chlorobenzene SCHEMBL27826332 | 0.88 | TSHR (0.42) | TSHRGLRA1SLC6A9OR51E2MIF | |
| Chlorobenzene SCHEMBL27931356 | 0.84 | TSHR (0.52) | TSHRCES2CES1GABBR2GABBR1 | |
| Benzene SCHEMBL28749082 | 0.83 | GLRA1 (0.67) | TSHRGLRA1SLC6A9OR51E2GABBR2 | |
| Chlorobenzene SCHEMBL27460518 | 0.81 | TSHR (0.55) | TSHRMIFCES2CES1CYP2C19 | |
| Chlorobenzene SCHEMBL6906848 | 0.81 | TSHR (0.55) | TSHRMIFCES2CES1CYP2C19 | |
| Chlorobenzene SCHEMBL28847229 | 0.80 | TSHR (0.48) | TSHRCES2CES1GABBR2GABBR1 | |
| Acetoacetic Acid SCHEMBL28181985 | 0.80 | TSHR (0.48) | TSHRMIFCES2CES1LMNA | |
| Chlorobenzene SCHEMBL27685704 | 0.79 | TSHR (0.52) | TSHRMIFCES2CES1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104326934-A | Preparation method of medical intermediate 2-chlorobenzene glycine methyl hydrochloride | JIANFENG SHEN | 2015-02-04 | — | — | CN | disclosed |
| CN-104326934-A | Preparation method of medical intermediate 2-chlorobenzene glycine methyl hydrochloride | JIANFENG SHEN | 2015-02-04 | — | — | CN | disclosed |