Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Octenidine. 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 | |
|---|---|---|---|---|
| ▸ | HSP90AA1 known ✓ | P07900 | 2/20 | 0.54 |
| ▸ | KCNA3 known ✓ | P22001 | 3/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 7/20 | 0.54 |
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | HTT | P42858 | 6/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | GALR3 | O60755 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | RAD52 | P43351 | 1/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Octenidine SCHEMBL8824299 | 1.00 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| Hydrochloric Acid SCHEMBL10573899 | 1.00 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| Octenidine SCHEMBL126751 | 1.00 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| Octenidine SCHEMBL126065 | 1.00 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| Hydrochloric Acid SCHEMBL10573221 | 1.00 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| Pirtenidine SCHEMBL10344101 | 1.00 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| Octenidine SCHEMBL16836483 | 1.00 | NPC1 (0.54) | NPC1RAB9AHTTMAPK1LMNA | |
| SCHEMBL23393769 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| SCHEMBL10569601 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA | |
| SCHEMBL10570053 | 0.98 | NPC1 (0.56) | NPC1RAB9AHTTMAPK1LMNA |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1964581-B1 | Surgical sewing material with antimicrobial surface and method for antimicrobial coating of surgical sewing material | HERAEUS KULZER GMBH (DE) | 2011-11-02 | — | — | EP | claimed |
| CN-101168071-B | Surgical suture material with an antimicrobial surface and process for providing an antimicrobial coating on surgical suture material | HERAEUS KULZER GMBH | 2011-09-14 | — | — | CN | claimed |
| US-8012173-B2 | Surgical suture material with an antimicrobial surface and process for providing an antimicrobial coating on surgical suture material | HERAEUS KULZER GMBH (DE) | 2011-09-06 | — | — | US | claimed |
| US-20110015673-A1 | SURGICAL SUTURE MATERIAL WITH AN ANTIMICROBIAL SURFACE AND PROCESS FOR PROVIDING AN ANTIMICROBIAL COATING ON SURGICAL SUTURE MATERIAL | HERAEUS KULZER GMBH (DE) | 2011-01-20 | — | — | US | claimed |
| US-7829133-B2 | Surgical suture material with an antimicrobial surface and process for providing an antimicrobial coating on surgical suture material | HERAEUS KULZER GMBH (DE) | 2010-11-09 | — | — | US | claimed |
| US-20080103526-A1 | SURGICAL SUTURE MATERIAL WITH AN ANTIMICROBIAL SURFACE AND PROCESS FOR PROVIDING AN ANTIMICROBIAL COATING ON SURGICAL SUTURE MATERIAL | HERAEUS KULZER GMBH (DE) | 2008-05-01 | — | — | US | claimed |
| CN-101168071-A | Surgical suture material with an antimicrobial surface and process for providing an antimicrobial coating on surgical suture material | HERAEUS KULZER GMBH (DE) | 2008-04-30 | — | — | CN | claimed |
| US-4206215-A | Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | claimed |
| EP-2968401-B1 | TINTED ANTISEPTIC SOLUTIONS HAVING IMPROVED STABILITY | CAREFUSION 2200 INC (US) | 2020-09-09 | — | — | EP | disclosed |
| US-10456227-B2 | Methods of surface treating tubular medical products | ENSION INC. (US) | 2019-10-29 | — | — | US | disclosed |
| US-20180125620-A1 | METHODS OF SURFACE TREATING TUBULAR MEDICAL PRODUCTS | ENSION INC. | 2018-05-10 | — | — | US | disclosed |
| US-9821066-B2 | Tinted antiseptic solutions having improved stability | CAREFUSION 2200, INC. (US) | 2017-11-21 | — | — | US | disclosed |
| US-9693841-B2 | Surface treated staples, sutures and dental floss and methods of manufacturing the same | ENSION, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| EP-2968401-A1 | TINTED ANTISEPTIC SOLUTIONS HAVING IMPROVED STABILITY | CareFusion 2200 Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| JP-2008104881-A | SURGICAL SUTURE MATERIAL WITH ANTIMICROBIAL SURFACE AND PROCESS FOR PROVIDING ANTIMICROBIAL COATING ON SURGICAL SUTURE MATERIAL | HERAEUS KULZER GMBH | 2008-05-08 | — | — | JP | disclosed |
| US-20080103526-A1 | SURGICAL SUTURE MATERIAL WITH AN ANTIMICROBIAL SURFACE AND PROCESS FOR PROVIDING AN ANTIMICROBIAL COATING ON SURGICAL SUTURE MATERIAL | HERAEUS KULZER GMBH (DE) | 2008-05-01 | — | — | US | disclosed |
| US-20080103526-A1 | SURGICAL SUTURE MATERIAL WITH AN ANTIMICROBIAL SURFACE AND PROCESS FOR PROVIDING AN ANTIMICROBIAL COATING ON SURGICAL SUTURE MATERIAL | HERAEUS KULZER GMBH (DE) | 2008-05-01 | — | — | US | disclosed |
| CN-101168071-A | Surgical suture material with an antimicrobial surface and process for providing an antimicrobial coating on surgical suture material | HERAEUS KULZER GMBH (DE) | 2008-04-30 | — | — | CN | disclosed |
| CN-101168071-A | Surgical suture material with an antimicrobial surface and process for providing an antimicrobial coating on surgical suture material | HERAEUS KULZER GMBH (DE) | 2008-04-30 | — | — | CN | disclosed |
| US-4206215-A | Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | disclosed |