Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butyl Alcohol. 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 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.38 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.37 |
| ▸ | PPARG | P37231 | 6/20 | 0.37 |
| ▸ | PPARD | Q03181 | 6/20 | 0.37 |
| ▸ | PPARA | Q07869 | 6/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.37 |
| ▸ | TLR2 | O60603 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | FABP4 | P15090 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| 1-Hexanol SCHEMBL5905855 | 0.91 | TSHR (0.59) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL2014984 | 0.89 | — | — | |
| Butyl Alcohol SCHEMBL28157153 | 0.87 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL28866161 | 0.87 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL793489 | 0.87 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL30712613 | 0.87 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL27387947 | 0.87 | — | — | |
| Acrylic Acid SCHEMBL29829375 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Acrylic Acid SCHEMBL3668421 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Acrylic Acid SCHEMBL1148710 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 |
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-0938755-B1 | HIGHLY CONDUCTIVE ION EXCHANGE POLYMER AND PROCESS | DU PONT (US) | 2004-03-10 | — | — | EP | disclosed |
| US-6033804-A | HIGHLY FLUORINATED LITHIUMN ION EXCHANGE POLYMER MEMBRANE, THE POLYMER HAVING PENDANT FLUOROALKOXY LITHIUM SULFONATE GROUPS, AND WHEREIN THE POLYMER IS CATION EXCHANGED; AND, AT LEAST ONE APROTIC SOLVENT IMBIBED IN SAID MEMBRANE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-03-07 | — | — | US | disclosed |