Known targets — ChEMBL curated mechanism
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 SCHEMBL6194876 | 0.95 | ALDH1A1 (0.61) | ALDH1A1TSHRCA1CA2CA9 | |
| Tert-Butanol SCHEMBL8169028 | 0.95 | — | — | |
| Tert-Butanol SCHEMBL1204871 | 0.95 | ALDH1A1 (0.61) | ALDH1A1TSHRCA1CA2CA9 | |
| Tert-Butanol SCHEMBL28305217 | 0.91 | TSHR (0.57) | ALDH1A1TSHRCA1CA2CA9 | |
| Bicarbonate SCHEMBL28154408 | 0.86 | — | — | |
| Tert-Butanol SCHEMBL6273948 | 0.82 | — | — | |
| Bicarbonate SCHEMBL9577103 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRCA1CA2CA9 | |
| Bicarbonate SCHEMBL9790007 | 0.80 | CA1 (0.56) | ALDH1A1TSHRCA1CA2CA9 | |
| Bicarbonate SCHEMBL8577664 | 0.80 | — | — | |
| Tert-Butanol SCHEMBL994481 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C19LMNATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294422-B | Produce the method and 4- carboxyl -3,5- dimethyl -3,5- dodecadienoic acid of 3,5- dimethyl dodecyl acid | 信越化学工业株式会社 | 2019-03-29 | — | — | CN | disclosed |
| CN-101243049-A | Substituted pyrazolecarboxylic acid anilide derivative or salt thereof, intermediate thereof, agent for agricultural and horticultural use, and use thereof | NIHON NOHYAKU CO LTD (JP) | 2008-08-13 | — | — | CN | disclosed |
| CN-1139109-A | Pyridonesulfonylurea compounds, process for their production and herbicides containing them | ISHIHARA SANGYO KAISHA (JP) | 1997-01-01 | — | — | CN | disclosed |