Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 SCHEMBL28495257 | 0.96 | KDM4E (0.71) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| Bromide SCHEMBL19856407 | 0.89 | ALDH1A1 (0.90) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| Bromide SCHEMBL60491 | 0.89 | ALDH1A1 (0.90) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| Bromide SCHEMBL231096 | 0.89 | ALDH1A1 (0.90) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| Bromide SCHEMBL60492 | 0.86 | ALDH1A1 (0.85) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| SCHEMBL28168 | 0.86 | ALDH1A1 (0.94) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| SCHEMBL1484108 | 0.86 | ALDH1A1 (0.94) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| Hydrogen Sulfide SCHEMBL5998720 | 0.86 | ALDH1A1 (0.94) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| Bromide SCHEMBL28101098 | 0.84 | ALDH1A1 (0.81) | KDM4EALDH1A1TDP1TSHRCHRNB2 | |
| Bromide SCHEMBL27837346 | 0.84 | ALDH1A1 (0.81) | KDM4EALDH1A1TDP1TSHRCHRNB2 |
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-112079944-B | Aromatic and aliphatic chain co-brominated high-molecular polymer and preparation method thereof | 山东润科化工股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-112079944-A | Aromatic and aliphatic chain co-brominated high-molecular polymer and preparation method thereof | 山东润科化工股份有限公司 | 2020-12-15 | — | — | CN | disclosed |