Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Butanone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.71 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 4/20 | 0.39 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | MMP3 | P08254 | 3/20 | 0.39 |
| ▸ | MMP8 | P22894 | 3/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | LAP3 | P28838 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Butanone SCHEMBL11034750 | 0.90 | ALDH1A1 (0.67) | ALDH1A1TDP1FFAR3MMP1MMP2 | |
| Butanone SCHEMBL1039820 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1CA1 | |
| Butanone SCHEMBL1310 | 0.84 | — | — | |
| Butanone SCHEMBL1510153 | 0.84 | — | — | |
| Butanone SCHEMBL8379087 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1CA1 | |
| Butanone SCHEMBL27495689 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TDP1FFAR3TRPA1CA1 | |
| Butanone SCHEMBL5386702 | 0.81 | — | — | |
| Butanone SCHEMBL17255798 | 0.81 | — | — | |
| Butanone SCHEMBL22405658 | 0.81 | — | — | |
| Butanone SCHEMBL20557981 | 0.81 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814112-B | Surfactant based on aliphatic polycarbonate | 萨索尔化学品(美国)有限责任公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-104726389-B | The Escherichia coli and its construction method that a kind of 3- hydracrylic acids tolerance improves | 中国科学院青岛生物能源与过程研究所 | 2018-11-13 | — | — | CN | disclosed |
| CN-102574989-B | Polymer purification method and polymer | MITSUI CHEMICALS INC | 2014-03-26 | — | — | CN | disclosed |
| US-8450440-B2 | Method for purifying polymer and polymer | MITSUI CHEMICALS, INC. (JP) | 2013-05-28 | — | — | US | disclosed |
| US-20120208976-A1 | METHOD FOR PURIFYING POLYMER AND POLYMER | MITSUI CHEMICALS, INC (JP) | 2012-08-16 | — | — | US | disclosed |
| CN-1289369-A | Riboflavin biosynthesis genes from plants and uses thereof | NOVARTIS AG (CH) | 2001-03-28 | — | — | CN | disclosed |
| EP-1051504-A2 | RIBOFLAVIN BIOSYNTHESIS GENES FROM PLANTS AND USES THEREOF | Novartis AG (CH) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999038986-A2 | RIBOFLAVIN BIOSYNTHESIS GENES FROM PLANTS AND USES THEREOF | NOVARTIS AG (CH) | 1999-08-05 | — | — | WO | disclosed |
| EP-0542750-B1 | DEW AND FROST RESISTANT SIGNS | MINNESOTA MINING & MFG (US) | 1996-06-26 | — | — | EP | disclosed |
| EP-0542750-A1 | DEW AND FROST RESISTANT SIGNS. | MINNESOTA MINING & MFG (US) | 1993-05-26 | — | — | EP | disclosed |
| US-5087508-A | DEW AND FROST RESISTANT SIGNS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-02-11 | — | — | US | disclosed |
| WO-1991019281-A1 | DEW AND FROST RESISTANT SIGNS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-12-12 | — | — | WO | disclosed |