Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Protocatechualdehyde. 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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.95 |
| ▸ | LCK known ✓ | P06239 | 3/20 | 0.61 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.55 |
| ▸ | TTR known ✓ | P02766 | 2/20 | 0.52 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.52 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.52 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.52 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.52 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.52 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.52 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Protocatechualdehyde SCHEMBL9512877 | 0.97 | KDM4E (1.00) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL29349539 | 0.97 | KDM4E (1.00) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL36350 | 0.97 | KDM4E (1.00) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL27876787 | 0.95 | KDM4E (0.95) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL4072910 | 0.95 | KDM4E (0.95) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL27748932 | 0.95 | KDM4E (0.95) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL29196221 | 0.93 | KDM4E (0.91) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL28808068 | 0.93 | KDM4E (0.91) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL27781791 | 0.93 | KDM4E (0.91) | KDM4ERAB9APTGS2LCKXDH | |
| Protocatechualdehyde SCHEMBL11526608 | 0.91 | KDM4E (0.86) | KDM4ERAB9APTGS2LCKXDH |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2485678-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | Cornell University (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011043817-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2011-04-14 | — | — | WO | disclosed |