Known targets — ChEMBL curated mechanism
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 SCHEMBL328957 | 0.96 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL21296057 | 0.95 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL9720844 | 0.95 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL7530466 | 0.95 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Bicarbonate SCHEMBL8438216 | 0.93 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL7871063 | 0.90 | CA2 (0.50) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL9161985 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL7865507 | 0.88 | HIF1A (0.58) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL30358591 | 0.88 | HIF1A (0.64) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL3786910 | 0.88 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0703262-B1 | Process for producing aromatic polycarbonate | MITSUBISHI CHEM CORP (JP) | 1999-12-15 | — | — | EP | disclosed |
| US-5578694-A | MELT POLYCONDENSATION OF AROMATIC DIOL AND DIARYL CARBONATE; ESTER INTERCHANGE USING PHOSPHONIUM CATALYST | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0703262-A2 | Process for producing aromatic polycarbonate | Mitsubishi Chemical Corporation (JP) | 1996-03-27 | — | — | EP | disclosed |