Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Trifluoromethylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.61 |
| ▸ | ACP3 | P15309 | 4/20 | 0.56 |
| ▸ | PGK1 | P00558 | 3/20 | 0.52 |
| ▸ | PGK2 | P07205 | 3/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 2/20 | 0.48 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL28143223 | 0.85 | TSHR (0.88) | ALDH1A1TSHRPTPN1ACP3NPC1 | |
| Phosphoric Acid SCHEMBL28200180 | 0.84 | PGK1 (0.61) | ALDH1A1TSHRPTPN1ACP3PGK1 | |
| Trifluoromethylbenzene SCHEMBL28052640 | 0.83 | TSHR (0.82) | ALDH1A1TSHRPTPN1NPC1RAB9A | |
| Trifluoromethylbenzene SCHEMBL28200707 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TSHRPTPN1ACP3NPC1 | |
| Trifluoromethylbenzene SCHEMBL28841102 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRPTPN1ACP3PGK1 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.80 | TSHR (1.00) | ALDH1A1TSHRPTPN1ACP3NPC1 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.80 | TSHR (1.00) | ALDH1A1TSHRPTPN1ACP3NPC1 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.80 | TSHR (1.00) | ALDH1A1TSHRPTPN1ACP3NPC1 | |
| Trifluoromethylbenzene SCHEMBL11236130 | 0.79 | ALDH1A1 (0.67) | ALDH1A1TSHRPTPN1ACP3PGK1 | |
| Trifluoromethylbenzene SCHEMBL28242172 | 0.78 | TSHR (0.74) | ALDH1A1TSHRPTPN1ACP3NPC1 |
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 |