Known targets — ChEMBL curated mechanism
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The experimentally established mechanism targets of Tert-Butanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL27721001 | 0.88 | TSHR (0.35) | ALDH1A1TSHRMAPK1TDP1 | |
| Acetaldehyde SCHEMBL3400941 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL28404193 | 0.86 | — | — | |
| Acetaldehyde SCHEMBL20959767 | 0.86 | — | — | |
| Acetaldehyde SCHEMBL662140 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL27741858 | 0.82 | TSHR (0.50) | ALDH1A1TSHRTDP1 | |
| Acetaldehyde SCHEMBL28444033 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL4150720 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL474820 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL27720987 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101291901-A | Polyvinyl ether compound | IDEMITSU KOSAN CO (JP) | 2008-10-22 | — | — | CN | disclosed |