Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,3,5-Trichlorobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL28591125 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHRCA5ACA5BMAPK1 | |
| Hydrazine SCHEMBL29052962 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4TDP1GPR35 | |
| 1,4-Dichlorobenzene SCHEMBL29002852 | 0.77 | FBP1 (0.52) | ALDH1A1TSHRCA5ACA5BCYP3A4 | |
| Nitric Acid SCHEMBL20985017 | 0.75 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| Nitric Acid SCHEMBL28233455 | 0.75 | — | — | |
| Nitric Acid SCHEMBL239426 | 0.74 | — | — | |
| Nitric Acid SCHEMBL6656006 | 0.74 | CA5A (0.80) | ALDH1A1TSHRCA5ACA5BTDP1 | |
| Nitric Acid SCHEMBL8582804 | 0.74 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL27259852 | 0.74 | TSHR (0.80) | ALDH1A1TSHRCYP3A4TP53TPMT | |
| SCHEMBL204235 | 0.72 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4MAPK1TDP1 |
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-107663161-A | A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |