Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isopropylbenzene. 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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL8074516 | 0.94 | CRHBP (0.42) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Isopropylbenzene SCHEMBL5607851 | 0.87 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Isopropylbenzene SCHEMBL28236115 | 0.84 | TAAR1 (0.44) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Isopropylbenzene SCHEMBL27280880 | 0.84 | TAAR1 (0.44) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Isopropylbenzene SCHEMBL27630723 | 0.82 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Isopropylbenzene SCHEMBL3423779 | 0.82 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Isopropylbenzene SCHEMBL3815382 | 0.82 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Isopropylbenzene SCHEMBL8555471 | 0.81 | ALDH1A1 (0.52) | CRHBPCRHR2HIF1AKDM4ELMNA | |
| Formaldehyde SCHEMBL5518381 | 0.81 | GABRA1 (0.46) | HIF1ALMNAHPGDALDH1A1CA1 | |
| Isopropylbenzene SCHEMBL9296427 | 0.81 | CNR2 (0.42) | CRHBPCRHR2HIF1AKDM4ELMNA |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220193983-A1 | ACRYLIC COMPOSITION FOR 3-D PRINTING | ARKEMA FRANCE (FR) | 2022-06-23 | — | — | US | disclosed |
| CN-114375248-A | Acrylic compositions for 3D printing | 阿科玛法国公司 | 2022-04-19 | — | — | CN | disclosed |
| EP-3946784-A1 | ACRYLIC COMPOSITION FOR 3-D PRINTING | ARKEMA FRANCE (FR) | 2022-02-09 | — | — | EP | disclosed |
| CN-111492008-A | Methacrylic resin composition, molded article, and film | 株式会社可乐丽 | 2020-08-04 | — | — | CN | disclosed |
| EP-1350812-B1 | METHYL METHACRYLATE COPOLYMER BLENDS | ARKEMA FRANCE (FR) | 2017-07-26 | — | — | EP | disclosed |
| US-8829099-B2 | Resin composition and molded article composed of the same | TORAY INDUSTRIES, INC. (JP) | 2014-09-09 | — | — | US | disclosed |
| EP-1903077-B1 | RESIN COMPOSITION AND MOLDED ARTICLE COMPRISING THE SAME | TORAY INDUSTRIES (JP) | 2014-09-03 | — | — | EP | disclosed |
| EP-2740767-A1 | Resin composition and molded article comprising of the same | TORAY INDUSTRIES, INC. (JP) | 2014-06-11 | — | — | EP | disclosed |
| US-20140155534-A1 | RESIN COMPOSITION AND MOLDED ARTICLE COMPOSED OF THE SAME | TORAY INDUSTRIES, INC. (JP) | 2014-06-05 | — | — | US | disclosed |
| US-7799412-B2 | Polylactic acid-based resin laminate sheet and molded product therefrom | TORAY INDUSTRIES, INC. (JP) | 2010-09-21 | — | — | US | disclosed |
| US-20030216510-A1 | Weather-resistant, high-impact strength acrylic compositions | ALTER DOMUS (US) LLC | 2003-11-20 | — | — | US | disclosed |
| CN-1450117-A | Weatherable impact-resisting acrylic compositions | ATOFINA (FR) | 2003-10-22 | — | — | CN | disclosed |
| EP-1350812-A2 | Methyl methacrylate copolymer blends | ATOFINA CHEMICALS, INC. (US) | 2003-10-08 | — | — | EP | disclosed |
| US-5668215-A | POLYCARBONATE AND POLYBUTYLENE TEREPHTHALATE ALLOY WITH AN ALKYL ACRYLATE-BUTADIENE-STYRENE EMULSION GRAFTLINKED TERPOLYMER | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1997-09-16 | — | — | US | disclosed |
| US-5576394-A | BUTADIENE-ALKYL ACRYLATE-STYRENE TERPOLYMER IN MULTILAYER ELEMENT WITH IMPACT STRENGTH | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1996-11-19 | — | — | US | disclosed |
| US-5321078-A | Polyester and grft polymer blend; improved impact resistance and chemnical resistance | HITACHI CHEMICAL CO., LTD. (JP) | 1994-06-14 | — | — | US | disclosed |
| US-4151226-A | POLYALLYL CROSSLINKER, ALKYL ACRYLATE, VINYL AROMATIC MONOMER, GRAFT POLYMER | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1979-04-24 | — | — | US | disclosed |
| US-4145380-A | THREE-STAGE GRAFT POLYMER OF A VINYL AROMATIC COMPOUND AND CROSSLINKING AGENT; BUTADIENE, ISOPRENE, CHLOROPRENE OR AN ALKYL ACRYLATE; AND, AN ALKYL METHACRYLATE | ROHM AND HAAS COMPANY (US) | 1979-03-20 | — | — | US | disclosed |
| US-4064197-A | THREE-STAGE GRAFT POLYMER | ROHM AND HAAS COMPANY (US) | 1977-12-20 | — | — | US | disclosed |
| US-3971835-A | THREE-STAGE VINYLAROMATIC-ACRYLATE GRAFT POLYMER | ROHM AND HAAS COMPANY (US) | 1976-07-27 | — | — | US | disclosed |