Known targets — ChEMBL curated mechanism
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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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL9326243 | 0.87 | ALDH1A1 (0.92) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL92734 | 0.87 | — | — | |
| Butyl Alcohol SCHEMBL22289700 | 0.87 | ALDH1A1 (0.92) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| 2-Mercaptoethanol SCHEMBL28797566 | 0.85 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL15955203 | 0.83 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL4295139 | 0.83 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL20656668 | 0.83 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL2167548 | 0.83 | — | — | |
| Butyl Alcohol SCHEMBL14919989 | 0.83 | — | — | |
| Butyl Alcohol SCHEMBL9548063 | 0.83 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 |
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-1957550-A2 | METHOD FOR THE REESTERIFICATION OR ESTERIFICATION OF SIDE CHAINS IN POLYMERS | BASF SE (DE) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007063037-A2 | METHOD FOR THE REESTERIFICATION OR ESTERIFICATION OF SIDE CHAINS IN POLYMERS | BASF SE (DE) | 2007-06-07 | — | — | WO | disclosed |