Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.83 |
| ▸ | TSHR | P16473 | 4/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL3535 | 0.91 | — | — | |
| Propylene Glycol SCHEMBL15864609 | 0.91 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL161401 | 0.91 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL28578 | 0.91 | — | — | |
| Propylene Glycol SCHEMBL55583 | 0.91 | — | — | |
| Propylene Glycol SCHEMBL7522896 | 0.91 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL724028 | 0.91 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL29873191 | 0.91 | — | — | |
| Propylene Glycol SCHEMBL29020459 | 0.88 | TDP1 (0.77) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Isobutanol SCHEMBL215565 | 0.87 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011004395-A1 | MICROEMULSION FORMULATION FOR BIOLOGICALS | INTAS BIOPHARMACEUTICALS LIMITED (IN) | 2011-01-13 | — | — | WO | claimed |
| CN-109306206-A | For glass or the high temperature digital printing ink of ceramics and its preparation method and application | 汪国军 | 2019-02-05 | — | — | CN | disclosed |
| CN-109306202-A | The application method of flux | 乔帝（上海）实业有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-109306204-A | Flux and its preparation method and application | 乔帝（上海）实业有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-109306208-A | Connection material and its application | 汪国军 | 2019-02-05 | — | — | CN | disclosed |
| CN-109306205-A | The application method of high temperature number ink | 乔帝（上海）实业有限公司 | 2019-02-05 | — | — | CN | disclosed |
| WO-2011004395-A1 | MICROEMULSION FORMULATION FOR BIOLOGICALS | INTAS BIOPHARMACEUTICALS LIMITED (IN) | 2011-01-13 | — | — | WO | disclosed |