Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acetic Acid Butyl Ester. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL2700544 | 0.90 | ALDH1A1 (0.72) | ALDH1A1TSHRATMHPGDMAPT | |
| Acetic Acid Butyl Ester SCHEMBL27507374 | 0.90 | ALDH1A1 (0.72) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL27370403 | 0.88 | ALDH1A1 (0.69) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL27702472 | 0.87 | ALDH1A1 (0.62) | ALDH1A1TSHRATMACHEHPGD | |
| Acetic Acid Butyl Ester SCHEMBL107642 | 0.87 | ALDH1A1 (0.62) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL28255898 | 0.86 | ALDH1A1 (0.67) | ALDH1A1TSHRATMHPGDMAPT | |
| Ethyl Acetate SCHEMBL14968087 | 0.86 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRACHE | |
| Acetic Acid Pentyl Ester SCHEMBL27685689 | 0.84 | ALDH1A1 (0.63) | ALDH1A1LMNATSHRMAPT | |
| Acetic Acid Butyl Ester SCHEMBL10487153 | 0.84 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRATM | |
| Acetic Acid Butyl Ester SCHEMBL16007831 | 0.84 | ALDH1A1 (0.82) | ALDH1A1LMNAHSD17B10TSHRATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2016143-A1 | HAPS FREE COATING COMPOSITION AND FILM THEREOF | BASF CORPORATION (US) | 2009-01-21 | — | — | EP | disclosed |
| WO-2007130810-A1 | HAPS FREE COATING COMPOSITION AND FILM THEREOF | BASF CORPORATION (US) | 2007-11-15 | — | — | WO | disclosed |