Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-Methylbutanoic Acid. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.46 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL3217564 | 0.94 | TDP1 (0.58) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL467274 | 0.94 | TDP1 (0.56) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.94 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.94 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL5522186 | 0.92 | FFAR3 (0.53) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL123995 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572477 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8570892 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL15772049 | 0.90 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8572474 | 0.90 | — | — |
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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113621413-A | High-efficiency alcohol-based gasoline fuel additive | 安徽醇生新能源科技有限公司 | 2021-11-09 | — | — | CN | claimed |
| CN-111691062-A | Antibacterial spunlace non-woven fabric for facial soft towel | 常熟市神马纺织品有限公司 | 2020-09-22 | — | — | CN | claimed |
| CN-1893910-A | Cyclic siloxane compositions for active ingredient release | GEN ELECTRIC (US) | 2007-01-10 | — | — | CN | claimed |
| CN-1064637-A | The method for welding of money base soldering paste and Silver Jewelry | KUNMING NOBLE METAL INST CHINA (CN) | 1992-09-23 | — | — | CN | claimed |
| CN-116636367-A | Biogas slurry safe application method | 牧原食品股份有限公司 | 2023-08-25 | — | — | CN | disclosed |
| CN-115559050-A | Method for manufacturing high-quality antibacterial deodorizing cotton socks | 深圳全棉时代科技有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-115461405-A | Composition, transfer sheet, melamine decorative sheet, and method for producing melamine decorative sheet | 爱克工业株式会社 | 2022-12-09 | — | — | CN | disclosed |
| CN-115246930-A | Novel polyimide resin, photosensitive polyimide resin composition, and preparation method and application thereof | 吉林奥来德光电材料股份有限公司 | 2022-10-28 | — | — | CN | disclosed |
| CN-113621413-A | High-efficiency alcohol-based gasoline fuel additive | 安徽醇生新能源科技有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-113621413-A | High-efficiency alcohol-based gasoline fuel additive | 安徽醇生新能源科技有限公司 | 2021-11-09 | — | — | CN | disclosed |
| WO-2021215028-A1 | COMPOSITION, TRANSFER SHEET, MELAMINE DECORATIVE BOARD, AND METHOD FOR PRODUCING MELAMINE DECORATIVE BOARD | アイカ工業株式会社 (JP) | 2021-10-28 | — | — | WO | disclosed |
| CN-111691062-A | Antibacterial spunlace non-woven fabric for facial soft towel | 常熟市神马纺织品有限公司 | 2020-09-22 | — | — | CN | disclosed |
| EP-0626986-B1 | AQUEOUS DISPERSION USEFUL IN COATINGS CONTAINING HYDROLYZED CELLULOSE ESTER AND ACRYLIC RESIN | EASTMAN CHEM CO (US) | 1996-03-20 | — | — | EP | disclosed |
| US-5418014-A | Aqueous dispersion useful in coatings containing hydrolyzed cellulose ester and acrylic resin | EASTMAN CHEMICAL COMPANY (US) | 1995-05-23 | — | — | US | disclosed |
| EP-0631604-A1 | AQUEOUS COATINGS COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF | EASTMAN CHEMICAL COMPANY (US) | 1995-01-04 | — | — | EP | disclosed |
| EP-0626986-A1 | AQUEOUS DISPERSION USEFUL IN COATINGS CONTAINING HYDROLYZED CELLULOSE ESTER AND ACRYLIC RESIN. | EASTMAN CHEM CO (US) | 1994-12-07 | — | — | EP | disclosed |
| US-5334638-A | Aqueous dispersion useful in coatings containing hydrolyzed cellulose ester and acyrlic resin | EASTMAN CHEMICAL COMPANY (US) | 1994-08-02 | — | — | US | disclosed |
| US-5286768-A | Aqueous coatings composition contianing cellulose mixed ester and amine neutralized acrylic resin and the process for the preparation thereof | EASTMAN KODAK COMPANY (US) | 1994-02-15 | — | — | US | disclosed |
| WO-1993019136-A1 | AQUEOUS COATINGS COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF | EASTMAN CHEMICAL COMPANY (US) | 1993-09-30 | — | — | WO | disclosed |
| WO-1993014168-A1 | AQUEOUS DISPERSION USEFUL IN COATINGS CONTAINING HYDROLYZED CELLULOSE ESTER AND ACRYLIC RESIN | EASTMAN KODAK COMPANY (US) | 1993-07-22 | — | — | WO | disclosed |