Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Diisopropanolamine. 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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Diisopropanolamine SCHEMBL22774 | 0.96 | — | — | |
| Diisopropanolamine SCHEMBL10618901 | 0.96 | — | — | |
| Diisopropanolamine SCHEMBL839563 | 0.93 | TSHR (0.41) | ALDH1A1CYP1A2CYP2D6TSHRTDP1 | |
| Diisopropanolamine SCHEMBL28590399 | 0.93 | TSHR (0.41) | ALDH1A1CYP1A2CYP2D6TSHRTDP1 | |
| Diisopropanolamine SCHEMBL6858463 | 0.93 | TSHR (0.41) | ALDH1A1CYP1A2CYP2D6TSHRTDP1 | |
| Diisopropanolamine SCHEMBL26967085 | 0.93 | TSHR (0.41) | ALDH1A1CYP1A2CYP2D6TSHRTDP1 | |
| Diisopropanolamine SCHEMBL28181731 | 0.93 | TSHR (0.41) | ALDH1A1CYP1A2CYP2D6TSHRTDP1 | |
| Diisopropanolamine SCHEMBL7592152 | 0.93 | TSHR (0.41) | ALDH1A1CYP1A2CYP2D6TSHRTDP1 | |
| Diisopropanolamine SCHEMBL28262309 | 0.90 | TSHR (0.39) | ALDH1A1CYP1A2CYP2D6TSHRTDP1 | |
| SCHEMBL23665148 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-3148270-A | — | — | None | — | — | JP | disclosed |
| JP-3130261-A | — | — | None | — | — | JP | disclosed |
| CN-217988434-U | Dryer for separating high-salt 2, 6-dimethyl morpholine | 江苏富比亚化学品有限公司 | 2022-12-09 | — | — | CN | disclosed |
| EP-3011954-A1 | EXTERNAL PREPARATION COMPOSITION COMPRISING FATTY ACID-BASED IONIC LIQUID AS ACTIVE INGREDIENT | Medrx Co., Ltd. (JP) | 2016-04-27 | — | — | EP | disclosed |
| US-20140066471-A1 | EXTERNAL PREPARATION COMPOSITION COMPRISING FATTY ACID-BASED IONIC LIQUID AS ACTIVE INGREDIENT | MEDRX CO., LTD. (JP) | 2014-03-06 | — | — | US | disclosed |
| US-8623387-B2 | External preparation composition comprising fatty acid-based ionic liquid as active ingredient | MEDRX CO., LTD. (JP) | 2014-01-07 | — | — | US | disclosed |
| US-20100256174-A1 | EXTERNAL PREPARATION COMPOSITION COMPRISING FATTY ACID-BASED IONIC LIQUID AS ACTIVE INGREDIENT | MEDRX CO., LTD. (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2223703-A1 | EXTERNAL PREPARATION COMPOSITION COMPRISING FATTY ACID-BASED IONIC LIQUID AS ACTIVE INGREDIENT | Medrx Co., Ltd. (JP) | 2010-09-01 | — | — | EP | disclosed |
| US-5925893-A | POLYESTERURETHANE IONOMER | FUJI XEROX CO., LTD. (JP) | 1999-07-20 | — | — | US | disclosed |
| JP-H03148270-A | THREE-LIQUID-PHASE EPOXYLATION OF PERFLUOROOLEFINE | E I DU PONT DE NEMOURS & CO | 1991-06-25 | — | — | JP | disclosed |
| JP-H03130261-A | 1-PHENYL-SUBSTITUTED-5-EXO-METHYLENE-PYRROLIDIN-2-ONE AND 2-PHENYL-SUBSTITUTED-3-EXO-METHYLENE-4,5,6,7-TETRAHYDROISOINDOL-(2H)-1-ONE HAVING HERBICIDAL ACTIVITY | CIBA GEIGY AG | 1991-06-04 | — | — | JP | disclosed |
| EP-0142742-B1 | PROCESS FOR REMOVING WATER FROM 2,6-DIMETHYL MORPHOLINE | HÜLS AKTIENGESELLSCHAFT (DE) | 1988-11-30 | — | — | EP | disclosed |