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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL6900876 | 0.94 | TSHR (0.47) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| Pivalate SCHEMBL29138458 | 0.94 | TSHR (0.47) | FFAR3TSHRALDH1A1CYP2D6CYP2C19 | |
| Pivalate SCHEMBL4631686 | 0.87 | FFAR3 (0.58) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL139024 | 0.83 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL1879030 | 0.83 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL7784606 | 0.83 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL2516097 | 0.83 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL1578192 | 0.83 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL8888237 | 0.83 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 | |
| Acetic Acid SCHEMBL17909908 | 0.83 | FFAR3 (0.64) | FFAR3LCKFYNTSHRALDH1A1 |
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 11 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 |
| WO-2002064687-A1 | ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-08-22 | — | — | WO | claimed |
| EP-1090085-A1 | ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS | EXXON CHEMICAL PATENTS INC. (US) | 2001-04-11 | — | — | EP | claimed |
| WO-1999057217-A1 | ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS | EXXON CHEMICAL PATENTS INC. (US) | 1999-11-11 | — | — | WO | 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 |
| WO-2002064687-A1 | ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-08-22 | — | — | WO | 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 |
| EP-1090085-A1 | ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS | EXXON CHEMICAL PATENTS INC. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999057217-A1 | ENVIRONMENTALLY PREFERRED FLUIDS AND FLUID BLENDS | EXXON CHEMICAL PATENTS INC. (US) | 1999-11-11 | — | — | WO | disclosed |