Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pivalate. 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 | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2958344 | 0.91 | LMNA (0.42) | ALDH1A1LMNATSHROR51E2FFAR3 | |
| Acetic Acid SCHEMBL18952154 | 0.86 | LMNA (0.38) | ALDH1A1LMNATSHROR51E2FFAR3 | |
| Pivalate SCHEMBL28740235 | 0.83 | ALDH1A1 (0.53) | ACACBACACAALDH1A1LMNATSHR | |
| Bicarbonate SCHEMBL1525700 | 0.83 | LMNA (0.44) | ALDH1A1LMNATSHROR51E2FFAR3 | |
| SCHEMBL6003775 | 0.82 | ACACB (0.35) | ACACBACACAALDH1A1LMNATSHR | |
| Acetic Acid SCHEMBL2160928 | 0.82 | AKR1B1 (0.39) | ALDH1A1LMNAOR51E2FFAR3LCK | |
| Trifluoroacetic Acid SCHEMBL29678773 | 0.81 | LMNA (0.38) | ACACBACACAALDH1A1LMNAOR51E2 | |
| Pivalate SCHEMBL6871775 | 0.81 | TDP1 (0.50) | ACACBACACAALDH1A1LMNATSHR | |
| Oxalic Acid SCHEMBL23163128 | 0.80 | LMNA (0.42) | ALDH1A1LMNATSHROR51E2FFAR3 | |
| Pivalate SCHEMBL15121418 | 0.80 | THRB (0.44) | ACACBACACAALDH1A1TSHRCA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6506243-B1 | Industrial solvents; dialkyl carbonates, alkyl acetates, dioxolanes, pivalates, isobutyrates, nitriles | EXXONMOBIL CHEMICAL PATENTS INC. | 2003-01-14 | — | — | US | claimed |
| US-6818049-B1 | HALOGEN FREE INDUSTRIAL SOLVENT FORMULATION; LOW REACTIVITY TO OZONE FORMATION | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-11-16 | — | — | US | disclosed |
| US-6506243-B1 | Industrial solvents; dialkyl carbonates, alkyl acetates, dioxolanes, pivalates, isobutyrates, nitriles | EXXONMOBIL CHEMICAL PATENTS INC. | 2003-01-14 | — | — | US | disclosed |
| US-20020002933-A1 | Environmentally preferred fluids and fluid blends | YEZRIELEV ALBERT ILYA (US) | 2002-01-10 | — | — | US | disclosed |
| US-6280519-B1 | Environmentally preferred fluids and fluid blends | EXXON CHEMICAL PATENTS INC. | 2001-08-28 | — | — | US | disclosed |