Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Sceptrin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA6 known ✓ | P17658 | 3/20 | 0.56 |
| ▸ | KCNA3 known ✓ | P22001 | 3/20 | 0.56 |
| ▸ | KCNA4 known ✓ | P22459 | 3/20 | 0.56 |
| ▸ | KCNA5 known ✓ | P22460 | 2/20 | 0.56 |
| ▸ | SCN9A known ✓ | Q15858 | 2/20 | 0.45 |
| ▸ | SCN3A known ✓ | Q9NY46 | 2/20 | 0.45 |
| ▸ | KCNA2 known ✓ | P16389 | 1/20 | 0.37 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.36 |
| ▸ | VIP | P01282 | 2/20 | 0.98 |
| ▸ | CBLB | Q13191 | 8/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Sceptrin SCHEMBL31027459 | 1.00 | VIP (0.98) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| Hydrochloric Acid SCHEMBL30092235 | 0.80 | VIP (0.65) | VIPCBLBSCN9ASCN3ANT5E | |
| Bromoageliferin SCHEMBL14985474 | 0.75 | VIP (0.59) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| SCHEMBL31027458 | 0.74 | VIP (0.59) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| SCHEMBL31027455 | 0.74 | VIP (0.59) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| SCHEMBL13036733 | 0.72 | KCNA6 (1.00) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| SCHEMBL21182348 | 0.72 | KCNA6 (1.00) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| SCHEMBL12597859 | 0.70 | VIP (0.54) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| SCHEMBL12559790 | 0.70 | VIP (0.54) | VIPKCNA6KCNA3KCNA4KCNA5 | |
| SCHEMBL12852200 | 0.70 | VIP (0.54) | VIPKCNA6KCNA3KCNA4KCNA5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024158090-A1 | NOVEL ORGANOMETALLIC COMPLEX HAVING ANTIBIOTIC EFFECT, ANTIBIOTIC COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING SAME | 경희대학교 산학협력단 | 2024-08-02 | — | — | WO | disclosed |