Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Esculetin. 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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 5/20 | 0.96 |
| ▸ | GLA known ✓ | P06280 | 3/20 | 0.96 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.96 |
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.96 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.96 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.53 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 9/20 | 0.96 |
| ▸ | CA12 | O43570 | 7/20 | 0.96 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.96 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.96 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.96 |
| ▸ | HPGD | P15428 | 4/20 | 0.96 |
| ▸ | CASP1 | P29466 | 4/20 | 0.96 |
| ▸ | CASP7 | P55210 | 4/20 | 0.96 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.96 |
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 | |
|---|---|---|---|---|
| Esculetin SCHEMBL24641 | 0.98 | CA9 (1.00) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL6867015 | 0.98 | CA9 (1.00) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL29569228 | 0.98 | CA9 (1.00) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL29163498 | 0.96 | CA9 (0.96) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL1736697 | 0.96 | CA9 (0.96) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL30120615 | 0.96 | CA9 (0.96) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL6703123 | 0.90 | CA9 (0.85) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL8528963 | 0.89 | CA9 (0.82) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL8716360 | 0.89 | CA9 (0.82) | CA9CA12MCL1GAAKDM4E | |
| Esculetin SCHEMBL8718947 | 0.87 | CA9 (0.79) | CA9CA12MCL1GAAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716983-A | ADMINISTERING PHOSPHOLIPASE INHIBITOR FOR TREATMENT OF INFLAMMATORY DISEASES, ALLERGIES, INJURIES, CARDIOVASCULAR DISORDERS, AUTOIMMUNE DISORDERS OR TRANSPLANT REJECTION | BOEHRINGER MANNHEIM GMBH (DE) | 1998-02-10 | — | — | US | disclosed |