Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 5/20 | 0.47 |
| ▸ | CES1 | P23141 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL7874541 | 0.94 | CES2 (0.50) | CA2CA4CES2CES1ALDH1A1 | |
| Benzoic Acid SCHEMBL7871040 | 0.94 | CES2 (0.50) | CA2CA4CES2CES1ALDH1A1 | |
| Benzoic Acid SCHEMBL7874586 | 0.90 | CA2 (0.53) | CA2CA4CES2CES1ALDH1A1 | |
| Butyltriphenylphosphonium SCHEMBL8437734 | 0.90 | ALDH1A1 (0.53) | CA2CES2CES1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL328957 | 0.90 | ALDH1A1 (0.53) | CA2CES2CES1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL7530466 | 0.88 | ALDH1A1 (0.52) | CA2CES2CES1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL21296057 | 0.88 | ALDH1A1 (0.52) | CA2CES2CES1ALDH1A1CYP1A2 | |
| Butyltriphenylphosphonium SCHEMBL9720844 | 0.88 | ALDH1A1 (0.52) | CA2CES2CES1ALDH1A1CYP1A2 | |
| Benzoic Acid SCHEMBL955979 | 0.85 | CA2 (0.55) | CA2CA4CES2CES1ALDH1A1 | |
| Butyltriphenylphosphonium SCHEMBL9161985 | 0.84 | ALDH1A1 (0.47) | CA2CES2CES1ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |