Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 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 SCHEMBL28956847 | 0.94 | TSHR (0.69) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL28956842 | 0.89 | TSHR (0.61) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL10495752 | 0.86 | TSHR (0.58) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL9576941 | 0.86 | TSHR (0.65) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL27488158 | 0.86 | TSHR (0.65) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL2533883 | 0.85 | TSHR (0.73) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL29172530 | 0.85 | TSHR (0.73) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL27620795 | 0.85 | TSHR (0.73) | TSHRCES2CES1ALOX15CYP1A2 | |
| Chlorobenzene SCHEMBL5319298 | 0.85 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL28200711 | 0.83 | TSHR (0.56) | TSHRCES2CES1MAPTL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107663160-B | A kind of continuous flow synthesis technology of 4- chlorobenzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2019-03-01 | — | — | CN | claimed |