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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.32 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 4/20 | 0.32 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | THRA | P10827 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 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 SCHEMBL258661 | 0.97 | CA2 (0.35) | CA2TSHRCA1MGLLPTGS1 | |
| Acrylic Acid SCHEMBL258364 | 0.95 | CA2 (0.39) | CA2CA1MGLLPTGS1PTGS2 | |
| Acrylic Acid SCHEMBL258362 | 0.92 | CA2 (0.39) | CA2CA1MGLLPTGS1PTGS2 | |
| SCHEMBL258605 | 0.85 | CA2 (0.45) | CA2CA1MGLLPTGS1PTGS2 | |
| Zinc Ion SCHEMBL258486 | 0.82 | CA2 (0.45) | CA2CA1MGLLPTGS1PTGS2 | |
| SCHEMBL2031809 | 0.79 | TSHR (0.33) | TSHRMGLLPTGS1PTGS2FAAH | |
| SCHEMBL12094816 | 0.76 | MGLL (0.39) | CA2CA1MGLLPTGS1PTGS2 | |
| SCHEMBL43970 | 0.76 | PTPN1 (0.42) | CA2MGLLPTGS1PTGS2FAAH | |
| SCHEMBL2219783 | 0.74 | CA2 (0.43) | CA2CA1MGLLPTGS1PTGS2 | |
| SCHEMBL2034675 | 0.74 | MGLL (0.38) | CA2CA1MGLLPTGS1PTGS2 |
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 |