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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.30 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Tert-Butanol SCHEMBL28914678 | 0.96 | CA5A (0.50) | CA5ACA5BTSHRALDH1A1CA2 | |
| Tert-Butanol SCHEMBL29229993 | 0.92 | CA5A (0.46) | CA5ACA5BTSHRALDH1A1CA2 | |
| Sulfuric Acid SCHEMBL22579019 | 0.91 | CA5A (0.55) | CA5ACA5BTSHRALDH1A1CA2 | |
| Sulfuric Acid SCHEMBL8817372 | 0.87 | CA5A (0.50) | CA5ACA5BTSHRALDH1A1CA2 | |
| Sulfuric Acid SCHEMBL9744014 | 0.86 | CA5A (0.60) | CA5ACA5BTSHRALDH1A1CA2 | |
| Tert-Butanol SCHEMBL28786523 | 0.84 | CA5A (0.36) | CA5ACA5BTSHRALDH1A1CA2 | |
| Sulfuric Acid SCHEMBL10882768 | 0.84 | CA5A (0.46) | CA5ACA5BTSHRALDH1A1CA2 | |
| Sulfuric Acid SCHEMBL2127329 | 0.84 | CA5A (0.46) | CA5ACA5BTSHRALDH1A1CA2 | |
| Sulfuric Acid SCHEMBL8675111 | 0.80 | — | — | |
| Tert-Butylamine SCHEMBL3177538 | 0.78 | CA5A (0.50) | CA5ACA5BTSHRALDH1A1CA2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5210320-A | Reacting dimethylhexanediol with hydrogen peroxide and sulfuric acid and alcohol | PHILLIPS PETROLEUM COMPANY (US) | 1993-05-11 | — | — | US | claimed |
| CN-117430349-A | Glass fiber with high toughness, impact resistance and easy foldability and preparation method thereof | 广东派迪茵体育股份有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-115124446-A | Purification method of di-tert-butyl peroxide | 常熟市滨江化工有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-109020786-B | Resourceful treatment method of 2, 5-dimethyl-2, 5-bis (tert-butylperoxy) hexane mother liquor | 常熟市滨江化工有限公司 | 2022-03-25 | — | — | CN | disclosed |
| CN-109020786-B | Resourceful treatment method of 2, 5-dimethyl-2, 5-bis (tert-butylperoxy) hexane mother liquor | 常熟市滨江化工有限公司 | 2022-03-25 | — | — | CN | disclosed |
| CN-211725714-U | High-throughput micro-reaction equipment for preparing di-tert-butyl peroxide | 山东清创化工有限公司 | 2020-10-23 | — | — | CN | disclosed |
| CN-109381452-A | Application of ethyl sulfuric acid class compound and preparation method thereof | 江西青峰药业有限公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-108611092-A | A kind of fluorescent powder | 祝启航 | 2018-10-02 | — | — | CN | disclosed |
| CN-101897448-B | Method for extracting effective components in holothurian by means of salting out | UNIV DALIAN TECH | 2014-04-23 | — | — | CN | disclosed |
| CN-101857563-B | Preparation method of mixture containing tert-butyl hydroperoxide | CHINASUN SPECIALTY PRODUCTS CO LTD | 2012-05-02 | — | — | CN | disclosed |
| CN-101897448-A | Method for extracting effective components in holothurian by means of salting out | UNIV DALIAN TECH | 2010-12-01 | — | — | CN | disclosed |
| US-6406687-B1 | POLYOXYALKYLENE ETHER, SULFATE, SULFONATE AND SULFAMATE AS ANTICOAGULANTS | BIOINTERACTIONS LTD. (GB) | 2002-06-18 | — | — | US | disclosed |
| US-5210320-A | Reacting dimethylhexanediol with hydrogen peroxide and sulfuric acid and alcohol | PHILLIPS PETROLEUM COMPANY (US) | 1993-05-11 | — | — | US | disclosed |
| US-3950442-A | HYDRATION OF ISOBUTYLENE | BASF AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |