Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 | |
|---|---|---|---|---|
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.39 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.33 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | CPT1A | P50416 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CRAT | P43155 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | GALR3 | O60755 | 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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL7536808 | 0.88 | SLC22A16 (0.45) | SLC22A16BBOX1CPT2CPT1AMAPT | |
| Acrylic Acid SCHEMBL7536805 | 0.88 | SLC22A16 (0.45) | SLC22A16BBOX1CPT2CPT1AMAPT | |
| Pivalate SCHEMBL2354478 | 0.88 | SLC22A16 (0.48) | SLC22A16BBOX1CPT2CPT1AMAPT | |
| Bicarbonate SCHEMBL28323257 | 0.75 | SLC22A16 (0.56) | SLC22A16BBOX1CPT2CPT1AMAPT | |
| Acrylic Acid SCHEMBL7536810 | 0.74 | MAPT (0.42) | SLC22A16CPT2CPT1AMAPTTSHR | |
| Methacrylic Acid SCHEMBL6678142 | 0.74 | SLC22A16 (0.47) | SLC22A16BBOX1CPT2CPT1AMAPT | |
| Trichloroacetic Acid SCHEMBL9011588 | 0.74 | SLC22A16 (0.47) | SLC22A16BBOX1CPT2CPT1AMAPT | |
| Pivalate SCHEMBL2354481 | 0.74 | MAPT (0.45) | SLC22A16CPT2CPT1AMAPTTSHR | |
| Acetic Acid SCHEMBL5670671 | 0.73 | SLC22A16 (0.54) | SLC22A16BBOX1CPT2CPT1AMAPT | |
| Bicarbonate SCHEMBL8320369 | 0.73 | SLC22A16 (0.54) | SLC22A16BBOX1CPT2CPT1AMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3110546-B1 | METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM | EVONIK OPERATIONS GMBH (DE) | 2022-03-30 | — | — | EP | claimed |
| US-10125234-B2 | Catalyst compositions and methods for making foam | EVONIK DEGUSSA GMBH (DE) | 2018-11-13 | — | — | US | claimed |
| EP-3110546-A1 | CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM | Air Products and Chemicals, Inc. (US) | 2017-01-04 | — | — | EP | claimed |
| WO-2015130939-A1 | CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-09-03 | — | — | WO | claimed |
| US-20150240023-A1 | Catalyst Compositions and Methods for Making Foam | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-08-27 | — | — | US | claimed |
| EP-3110546-B1 | METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM | EVONIK OPERATIONS GMBH (DE) | 2022-03-30 | — | — | EP | disclosed |
| US-10125234-B2 | Catalyst compositions and methods for making foam | EVONIK DEGUSSA GMBH (DE) | 2018-11-13 | — | — | US | disclosed |
| EP-3110546-A1 | CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM | Air Products and Chemicals, Inc. (US) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015130939-A1 | CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-09-03 | — | — | WO | disclosed |
| US-20150240023-A1 | Catalyst Compositions and Methods for Making Foam | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-08-27 | — | — | US | disclosed |