Known targets — ChEMBL curated mechanism
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
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ACP3 | P15309 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.42 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.42 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.42 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
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 SCHEMBL27462595 | 1.00 | TSHR (0.65) | TSHRACP3CA2CA4CA5A | |
| Chlorobenzene SCHEMBL31175844 | 1.00 | TSHR (0.65) | TSHRACP3CA2CA4CA5A | |
| Chlorobenzene SCHEMBL2065913 | 0.97 | TSHR (0.61) | TSHRACP3CA2CA4CA5A | |
| Chlorobenzene SCHEMBL27645436 | 0.92 | TSHR (0.61) | TSHRACP3CA2CA4CA5A | |
| Chlorobenzene SCHEMBL28111876 | 0.85 | TSHR (0.69) | TSHRACP3CA2CA4CA5A | |
| Chlorobenzene SCHEMBL8908007 | 0.85 | TSHR (0.52) | TSHRACP3CA2CA4CA5A | |
| Chlorobenzene SCHEMBL27774754 | 0.85 | ACP3 (0.53) | TSHRACP3CA2CA4CA5A | |
| 1,4-Dichlorobenzene SCHEMBL28425304 | 0.84 | LMNA (0.57) | TSHRCA2CES2CES1CYP1A2 | |
| Chlorobenzene SCHEMBL6669403 | 0.82 | TSHR (0.65) | TSHRCA2CES2CES1CYP1A2 | |
| Chlorobenzene SCHEMBL29172530 | 0.81 | TSHR (0.73) | TSHRCES2CES1CYP1A2ORAI1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6960553-B2 | Heat-sensitive recording material | MITSUBISHI PAPER MILLS LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20030186810-A1 | Heat-sensitive recording material | MITSUBISHI PAPER MILLS LTD. | 2003-10-02 | — | — | US | disclosed |