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 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL3089101 | 0.94 | CRHBP (0.39) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL5607851 | 0.93 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL27280880 | 0.90 | TAAR1 (0.44) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL28236115 | 0.90 | TAAR1 (0.44) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL3423779 | 0.87 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL3815382 | 0.87 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL27630723 | 0.87 | ADRA2C (0.46) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL9296427 | 0.86 | CNR2 (0.42) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL8555471 | 0.86 | ALDH1A1 (0.52) | CRHBPCRHR2HIF1AKDM4EADRA2A | |
| Isopropylbenzene SCHEMBL11258679 | 0.85 | TAAR1 (0.44) | HIF1AKDM4EADRA2AADRA2CLMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022209442-A1 | THERMOPLASTIC RESIN COMPOSITION AND MOLDED ARTICLE THEREOF | テクノＵＭＧ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| EP-3467047-B1 | THERMOPLASTIC RESIN, MOLDED PRODUCT, FILM AND LAYERED PRODUCT | KURARAY CO (JP) | 2021-11-03 | — | — | EP | disclosed |
| US-20210079207-A1 | METHACRYLIC RESIN COMPOSITION, MOLDED ARTICLE, AND FILM | KURARAY CO., LTD. (JP) | 2021-03-18 | — | — | US | disclosed |
| CN-109312162-B | Thermoplastic resin composition, molded body, film, and laminate | 株式会社可乐丽 | 2021-02-26 | — | — | CN | disclosed |
| US-10858488-B2 | Thermoplastic resin, molded product, film, and layered product | KURARAY CO., LTD. (JP) | 2020-12-08 | — | — | US | disclosed |
| EP-3730551-A1 | METHACRYLIC RESIN COMPOSITION, MOLDED ARTICLE, AND FILM | Kuraray Co., Ltd. (JP) | 2020-10-28 | — | — | EP | disclosed |
| US-20190153175-A1 | THERMOPLASTIC RESIN, MOLDED PRODUCT, FILM, AND LAYERED PRODUCT | KURARAY CO., LTD. (JP) | 2019-05-23 | — | — | US | disclosed |
| EP-3467047-A1 | THERMOPLASTIC RESIN COMPOSITION, MOLDED BODY, FILM, AND LAMINATE | Kuraray Co., Ltd. (JP) | 2019-04-10 | — | — | EP | disclosed |
| CN-101218298-B | Resin composition and shaped article composed of the same | TORAY INDUSTRIES | 2011-07-20 | — | — | CN | disclosed |
| CN-101218298-A | Resin composition and shaped article composed of the same | TORAY INDUSTRIES (JP) | 2008-07-09 | — | — | CN | disclosed |
| US-6136918-A | (METH)ACRYLIC ACID, CROTONIC AND/OR ITACONIC ACID AND ALKYL (METH)ACRYLATE MONOMERS; IMPACT STRENGTH | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0870799-A1 | RUBBER LATEX, GRAFT COPOLYMER, AND THERMOPLASTIC RESIN COMPOSITION | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-10-14 | — | — | EP | disclosed |