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 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 SCHEMBL6131291 | 0.91 | CNR2 (0.44) | CNR2CRHBPCRHR2CYP2D6HIF1A | |
| Isopropylbenzene SCHEMBL5607851 | 0.89 | ADRA2C (0.46) | CRHBPCRHR2CYP2D6HIF1AKDM4E | |
| Isopropylbenzene SCHEMBL2142788 | 0.87 | PTPN1 (0.41) | CNR2CRHBPCRHR2CYP2D6KDM4E | |
| Isopropylbenzene SCHEMBL6131292 | 0.86 | CYP2D6 (0.41) | CNR2CRHBPCRHR2CYP2D6HIF1A | |
| Isopropylbenzene SCHEMBL8074516 | 0.86 | CRHBP (0.42) | CNR2CRHBPCRHR2CYP2D6HIF1A | |
| Isopropylbenzene SCHEMBL3423779 | 0.84 | ADRA2C (0.46) | CRHBPCRHR2CYP2D6HIF1AKDM4E | |
| Isopropylbenzene SCHEMBL3815382 | 0.84 | ADRA2C (0.46) | CRHBPCRHR2CYP2D6HIF1AKDM4E | |
| Isopropylbenzene SCHEMBL27630723 | 0.84 | ADRA2C (0.46) | CRHBPCRHR2CYP2D6HIF1AKDM4E | |
| Isopropylbenzene SCHEMBL28105783 | 0.84 | CYP2D6 (0.46) | CNR2CRHBPCRHR2CYP2D6HIF1A | |
| Isopropylbenzene SCHEMBL8555471 | 0.83 | ALDH1A1 (0.52) | CNR2CRHBPCRHR2HIF1AKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106589233-A | Preparation method of temperature and salt tolerance inverse emulsion drag reducing agent | 山东宝莫生物化工股份有限公司 | 2017-04-26 | — | — | CN | claimed |
| CN-107986215-A | Cumyl peroxide continuous production device | 太仓塑料助剂厂有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-107827063-A | The interim device for storing liquid of cumyl peroxide | 太仓塑料助剂厂有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-107827062-A | The interim device for storing liquid of cumyl peroxide | 太仓塑料助剂厂有限公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-107793338-A | Cumyl peroxide packing method | 太仓塑料助剂厂有限公司 | 2018-03-13 | — | — | CN | disclosed |
| CN-107720665-A | Cumyl peroxide continuous production device | 太仓塑料助剂厂有限公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-106589233-A | Preparation method of temperature and salt tolerance inverse emulsion drag reducing agent | 山东宝莫生物化工股份有限公司 | 2017-04-26 | — | — | CN | disclosed |
| US-5340441-A | Acrylamide copolymers; smoothness | SOCIETE FRANCAISE HOECHST (FR) | 1994-08-23 | — | — | US | disclosed |
| US-5262238-A | Water in oil emulsions, improved smoothness for graphic arts paper | SOCIETE FRANCAISE HOECHST (FR) | 1993-11-16 | — | — | US | disclosed |