Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Butyltriphenylphosphonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| Butyltriphenylphosphonium SCHEMBL27564900 | 0.92 | HIF1A (0.58) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL1063 | 0.90 | HIF1A (0.61) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL2650050 | 0.88 | HIF1A (0.58) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL28007945 | 0.88 | HIF1A (0.58) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL30358591 | 0.88 | HIF1A (0.64) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL28337794 | 0.86 | HIF1A (0.56) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL2650095 | 0.86 | HIF1A (0.56) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL27985987 | 0.86 | HIF1A (0.56) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL584744 | 0.86 | HIF1A (0.61) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL584160 | 0.86 | HIF1A (0.61) | HIF1ATSHRTRAP1ALDH1A1CYP1A2 |
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-108083967-A | A kind of distillation recovery method of toluene | 安徽金善化工科技有限公司 | 2018-05-29 | — | — | CN | claimed |