Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nicoxamat. 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 | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.96 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.96 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.61 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.61 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.59 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.58 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.58 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.54 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.54 |
| ▸ | KCNK3 known ✓ | O14649 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | APP | P05067 | 1/20 | 0.59 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.59 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.59 |
| ▸ | F7 | P08709 | 1/20 | 0.57 |
| ▸ | F3 | P13726 | 1/20 | 0.57 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Nicoxamat SCHEMBL93839 | 0.98 | HDAC1 (1.00) | HDAC1HDAC6THRBLMNAHIF1A | |
| Nicoxamat SCHEMBL29824802 | 0.86 | HDAC1 (0.77) | HDAC1HDAC6THRBLMNAHIF1A | |
| SCHEMBL5361880 | 0.83 | HDAC1 (0.74) | HDAC1HDAC6THRBLMNAHIF1A | |
| SCHEMBL2000041 | 0.83 | HDAC1 (0.74) | HDAC1HDAC6THRBLMNAHIF1A | |
| Nicotinyl Methylamide SCHEMBL5891238 | 0.82 | HDAC1 (0.67) | HDAC1HDAC6THRBLMNAHIF1A | |
| Nicotinyl Methylamide SCHEMBL5528294 | 0.82 | HDAC1 (0.67) | HDAC1HDAC6THRBLMNAHIF1A | |
| Nicotinyl Methylamide SCHEMBL29082835 | 0.82 | HDAC1 (0.67) | HDAC1HDAC6THRBLMNAHIF1A | |
| SCHEMBL27361080 | 0.81 | TSHR (0.72) | HDAC1HDAC6THRBLMNAALDH1A1 | |
| SCHEMBL6246677 | 0.80 | HDAC1 (0.69) | HDAC1HDAC6THRBLMNAHIF1A | |
| SCHEMBL10896904 | 0.80 | HDAC1 (0.69) | HDAC1HDAC6THRBLMNAHIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166105-B | Heterocyclic compounds as CDK-HDAC dual pathway inhibitors | 杭州英创医药科技有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-117285525-A | Novel isoxazolyl ether derivatives as GABAA alpha 5PAM | 豪夫迈·罗氏有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-109923113-B | Isoxazolyl ether derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-109912576-A | Cyclic annular or loop coil Diamines pyrimidine-hydroxamic acid and application thereof | 华东理工大学 | 2019-06-21 | — | — | CN | disclosed |