Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.47 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17433562 | 0.96 | MDM2 (0.52) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL210064 | 0.96 | MDM2 (0.52) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433642 | 0.96 | MDM2 (0.52) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433664 | 0.96 | MDM2 (0.52) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433654 | 0.96 | MDM2 (0.52) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433575 | 0.96 | MDM2 (0.52) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433635 | 0.96 | MDM2 (0.52) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433608 | 0.89 | MDM2 (0.45) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433577 | 0.89 | MDM2 (0.45) | MDM2PGRADRA2AADRA2BHTR2A | |
| SCHEMBL17433564 | 0.89 | MDM2 (0.45) | MDM2PGRADRA2AADRA2BHTR2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116554029-B | Synthesis method of aromatic formyl ethyl acetate | 河北民族师范学院 | 2024-03-29 | — | — | CN | disclosed |
| CN-116554029-A | Synthesis method of aromatic formyl ethyl acetate | 河北民族师范学院 | 2023-08-08 | — | — | CN | disclosed |
| US-4996120-A | Free radical polymerization upon exposure to actinic radiation | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 1991-02-26 | — | — | US | disclosed |
| US-4959284-A | Holographic photopolymer compositions and elements containing a ring-opening monomer | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-09-25 | — | — | US | disclosed |
| EP-0377182-A2 | Improved holographic photopolymer compositions and elements containing a ring-opening monomer | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-07-11 | — | — | EP | disclosed |