Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 9/20 | 0.81 |
| ▸ | HPGD | P15428 | 1/20 | 0.81 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 SCHEMBL28207751 | 0.98 | TSHR (0.79) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Acrylic Acid SCHEMBL1033201 | 0.96 | TSHR (0.88) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Acetic Acid SCHEMBL1275660 | 0.96 | TSHR (0.88) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Acrylic Acid SCHEMBL28508000 | 0.96 | TSHR (0.88) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Acetic Acid SCHEMBL27639883 | 0.94 | TSHR (0.85) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Acrylic Acid SCHEMBL5370100 | 0.94 | TSHR (0.85) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Acrylic Acid SCHEMBL28982600 | 0.93 | TSHR (0.71) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Acrylic Acid SCHEMBL11329135 | 0.93 | TSHR (0.81) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Hydrogen Peroxide SCHEMBL28268342 | 0.92 | TSHR (0.96) | TSHRHPGDHCAR2ALDH1A1CYP3A4 | |
| Methacrylic Acid SCHEMBL11308304 | 0.91 | TSHR (0.73) | TSHRHPGDHCAR2ALDH1A1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106397073-B | A kind of chemical defence shrapnel explosive and preparation method thereof | 山西北化关铝化工有限公司 | 2018-04-13 | — | — | CN | disclosed |