Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butane. 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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL9442813 | 0.97 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Butane SCHEMBL5064963 | 0.97 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Butane SCHEMBL10901195 | 0.97 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Butane SCHEMBL8822263 | 0.97 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Bicarbonate SCHEMBL9843665 | 0.90 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Pentane SCHEMBL10887899 | 0.84 | AKR1B1 (0.46) | FFAR3ALDH1A1TDP1CES2CES1 | |
| Hexane SCHEMBL7024948 | 0.84 | AKR1B1 (0.52) | ALDH1A1TDP1CES2CES1AKR1B1 | |
| Alcohol SCHEMBL28609132 | 0.83 | FFAR3 (0.50) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 | |
| Bicarbonate SCHEMBL2217045 | 0.82 | CA1 (0.50) | FFAR3ALDH1A1TSHR | |
| Butane SCHEMBL1165212 | 0.82 | FFAR3 (0.54) | FFAR3ALDH1A1HDAC1HDAC2HDAC3 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0049393-B1 | HEAT DURABLE POLYCONDENSATION PRODUCTS THAT CONTAIN AMIDE AND IMIDE GROUPS, AND THEIR USE | Dr. Beck & Co. AG (DE) | 1984-08-22 | — | — | EP | claimed |
| EP-0049393-A2 | Heat durable polycondensation products that contain amide and imide groups, and their use | Dr. Beck & Co. AG (DE) | 1982-04-14 | — | — | EP | claimed |
| EP-2532706-B1 | METHOD FOR PRODUCING A COATED PACKAGING MATERIAL AND PACKAGING MATERIAL WITH AT LEAST ONE BARRIER LAYER FOR HYDROPHOBIC CONNECTIONS | MAYR MELNHOF KARTON AG (AT) | 2021-08-11 | — | — | EP | disclosed |
| EP-2740685-B2 | Method for producing a coated packaging material and packaging material with at least one barrier layer for hydrophobic compositions | MAYR MELNHOF KARTON AG (AT) | 2019-12-25 | — | — | EP | disclosed |
| EP-3456652-A2 | PROCESS FOR PRODUCING A COATED PACKAGING MATERIAL AND PACKAGING MATERIAL HAVING AT LEAST ONE BARRIER LAYER FOR HYDROPHOBIC COMPOUNDS | Mayr-Melnhof Karton AG (AT) | 2019-03-20 | — | — | EP | disclosed |
| EP-2928787-B1 | METHOD FOR PRODUCING A COATED PACKAGING MATERIAL AND PACKAGING MATERIAL WITH AT LEAST ONE BARRIER LAYER FOR HYDROPHOBIC COMPOSITIONS | MAYR MELNHOF KARTON AG (AT) | 2018-10-24 | — | — | EP | disclosed |
| EP-2740685-B1 | METHOD FOR PRODUCING A COATED PACKAGING MATERIAL AND PACKAGING MATERIAL WITH AT LEAST ONE BARRIER LAYER FOR HYDROPHOBIC COMPOSITIONS | MAYR MELNHOF KARTON AG (AT) | 2016-11-30 | — | — | EP | disclosed |
| EP-2740685-A1 | Method for producing a coated packaging material and packaging material with at least one barrier layer for hydrophobic compositions | Mayr-Melnhof Karton AG (AT) | 2014-06-11 | — | — | EP | disclosed |
| EP-2532706-A1 | Method for producing a coated packaging material and packaging material with at least one barrier layer for hydrophobic connections | Mayr-Melnhof Karton AG (AT) | 2012-12-12 | — | — | EP | disclosed |
| US-20080188376-A1 | Oligonucleotide probes and microarray for determining genome types | TOYO KOHAN CO., LTD. (JP) | 2008-08-07 | — | — | US | disclosed |
| EP-1183299-B1 | POLYMERS THAT CONTAIN ALCOXYLATED, CONDENSED ALKALINE AMINO ACIDS AND METHOD OF PRODUCING SAID POLYMERS | BASF AG (DE) | 2002-12-18 | — | — | EP | disclosed |
| EP-1183298-A1 | CROSS-LINKED POLYMERS THAT CONTAIN CONDENSED ALKALINE AMINO ACIDS AND METHOD FOR PRODUCING SAID POLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-06 | — | — | EP | disclosed |
| EP-1183299-A1 | POLYMERS THAT CONTAIN ALCOXYLATED, CONDENSED ALKALINE AMINO ACIDS AND METHOD OF PRODUCING SAID POLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000071600-A1 | CROSS-LINKED POLYMERS THAT CONTAIN CONDENSED ALKALINE AMINO ACIDS AND METHOD FOR PRODUCING SAID POLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-30 | — | — | WO | disclosed |
| WO-2000071601-A1 | POLYMERS THAT CONTAIN ALCOXYLATED, CONDENSED ALKALINE AMINO ACIDS AND METHOD OF PRODUCING SAID POLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-30 | — | — | WO | disclosed |
| EP-0049393-B1 | HEAT DURABLE POLYCONDENSATION PRODUCTS THAT CONTAIN AMIDE AND IMIDE GROUPS, AND THEIR USE | Dr. Beck & Co. AG (DE) | 1984-08-22 | — | — | EP | disclosed |
| EP-0025555-B1 | SELF-CROSS-LINKABLE, HEAT-CURABLE AQUEOUS VARNISH-COATING COMPOSITION AND ITS APPLICATION TO THE CATHODIC ELECTRODEPOSITION ON ELECTRO-CONDUCTIVE SUBSTRATES | Herberts Gesellschaft mit beschränkter Haftung (DE) | 1983-03-23 | — | — | EP | disclosed |
| EP-0049393-A2 | Heat durable polycondensation products that contain amide and imide groups, and their use | Dr. Beck & Co. AG (DE) | 1982-04-14 | — | — | EP | disclosed |
| EP-0049393-A2 | Heat durable polycondensation products that contain amide and imide groups, and their use | Dr. Beck & Co. AG (DE) | 1982-04-14 | — | — | EP | disclosed |
| EP-0025555-A2 | Self-cross-linkable, heat-curable aqueous varnish-coating composition and its application to the cathodic electrodeposition on electro-conductive substrates | Herberts Gesellschaft mit beschränkter Haftung (DE) | 1981-03-25 | — | — | EP | disclosed |