Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Phenyl Ethanol. 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 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | THPO | P40225 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 SCHEMBL29019191 | 0.88 | CA2 (0.70) | CA2CA4LMNACES2CES1 | |
| Benzoic Acid SCHEMBL1033231 | 0.83 | CA2 (0.76) | CA2CA4LMNACES2CES1 | |
| Phenyl Ethanol SCHEMBL28552574 | 0.81 | LMNA (0.54) | LMNACES2CES1MAPK1CYP3A4 | |
| Benzoic Acid SCHEMBL946408 | 0.81 | CA2 (0.89) | CA2CA4LMNACES2CES1 | |
| Benzoic Acid SCHEMBL16121 | 0.81 | CA2 (0.89) | CA2CA4LMNACES2CES1 | |
| Benzoic Acid SCHEMBL28202616 | 0.81 | CA2 (0.59) | CA2CA4LMNACES2CES1 | |
| Benzoic Acid SCHEMBL7210053 | 0.80 | CA2 (0.64) | CA2CA4LMNACES2CES1 | |
| Acetophenone SCHEMBL5159246 | 0.80 | MAPT (0.52) | LMNACES2CES1TDP1L3MBTL1 | |
| Benzoic Acid SCHEMBL7520445 | 0.80 | CA2 (0.64) | CA2CA4LMNACES2CES1 | |
| Benzoic Acid SCHEMBL28286208 | 0.80 | CA2 (0.71) | CA2CA4LMNACES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007044700-A2 | PROTECTANT COMBINATIONS FOR REDUCING TOXICITIES | BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) | 2007-04-19 | — | — | WO | disclosed |