Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acrylic Acid. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.36 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 5/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.36 |
| ▸ | THRA | P10827 | 5/20 | 0.33 |
| ▸ | THRB | P10828 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.32 |
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 SCHEMBL258362 | 0.97 | CA2 (0.39) | CA2CA1MGLLPTGS1PTGS2 | |
| Acrylic Acid SCHEMBL258634 | 0.95 | CA2 (0.35) | CA2CA1MGLLPTGS1PTGS2 | |
| Acrylic Acid SCHEMBL258661 | 0.92 | CA2 (0.35) | CA2CA1MGLLPTGS1PTGS2 | |
| SCHEMBL258605 | 0.92 | CA2 (0.45) | CA2CA1MGLLPTGS1PTGS2 | |
| Zinc Ion SCHEMBL258486 | 0.89 | CA2 (0.45) | CA2CA1MGLLPTGS1PTGS2 | |
| SCHEMBL30634818 | 0.77 | GPR84 (0.46) | MGLLPTGS1PTGS2FAAHLMNA | |
| SCHEMBL6940135 | 0.77 | GPR84 (0.46) | MGLLPTGS1PTGS2FAAHLMNA | |
| SCHEMBL1574549 | 0.77 | GPR84 (0.46) | MGLLPTGS1PTGS2FAAHLMNA | |
| SCHEMBL43883 | 0.77 | GPR84 (0.46) | MGLLPTGS1PTGS2FAAHLMNA | |
| SCHEMBL6934782 | 0.77 | GPR84 (0.46) | MGLLPTGS1PTGS2FAAHLMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8063161-B2 | Low temperature curing acrylate and maleimide based formulations and methods for use thereof | DESIGNER MOLECULES, INC. (US) | 2011-11-22 | — | — | US | claimed |
| US-20100063184-A1 | LOW TEMPERATURE CURING ACRYLATE AND MALEIMIDE BASED FORMULATIONS AND METHODS FOR USE THEREOF | DESIGNER MOLECULES, INC. (US) | 2010-03-11 | — | — | US | claimed |
| WO-2008130894-A1 | LOW TEMPERATURE CURING ACRYLATE AND MALEIMIDE BASED FORMULATIONS AND METHODS FOR USE THEREOF | DESIGNER MOLECULES, INC. (US) | 2008-10-30 | — | — | WO | claimed |
| US-8063161-B2 | Low temperature curing acrylate and maleimide based formulations and methods for use thereof | DESIGNER MOLECULES, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100063184-A1 | LOW TEMPERATURE CURING ACRYLATE AND MALEIMIDE BASED FORMULATIONS AND METHODS FOR USE THEREOF | DESIGNER MOLECULES, INC. (US) | 2010-03-11 | — | — | US | disclosed |
| WO-2008130894-A1 | LOW TEMPERATURE CURING ACRYLATE AND MALEIMIDE BASED FORMULATIONS AND METHODS FOR USE THEREOF | DESIGNER MOLECULES, INC. (US) | 2008-10-30 | — | — | WO | disclosed |