Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nicotinyl Methylamide. 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 | 0.67 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.67 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.59 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.59 |
| ▸ | GAA known ✓ | P10253 | 3/20 | 0.57 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.54 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.65 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 1/20 | 0.57 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | F7 | P08709 | 1/20 | 0.55 |
| ▸ | F3 | P13726 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Nicotinyl Methylamide SCHEMBL29082835 | 1.00 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL5891238 | 1.00 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL30664356 | 0.98 | HDAC1 (0.69) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL129458 | 0.98 | HDAC1 (0.69) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL28560459 | 0.98 | HDAC1 (0.69) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL9275531 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL22190418 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL22190415 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL4730618 | 0.96 | HDAC1 (0.67) | HDAC1HDAC6MKNK1MKNK2LMNA | |
| Nicotinyl Methylamide SCHEMBL22190891 | 0.91 | MKNK1 (0.64) | HDAC1HDAC6MKNK1MKNK2LMNA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10864207-B2 | Method of treating endothelial dysfunction | Celagenex Research (India) Pvt. Ltd. (IN) | 2020-12-15 | — | — | US | claimed |
| US-20200222383-A1 | POTENT SYNERGISTIC COMPOSITIONS OF VASOACTIVE MEDIATORS ENHANCERS FOR IMPROVING VASCULAR ENDOTHELIAL FUNCTION | Celagenex Research (India) Pvt. Ltd. (IN) | 2020-07-16 | — | — | US | claimed |
| WO-2020141552-A1 | POTENT SYNERGISTIC COMPOSITIONS OF VASOACTIVE MEDIATORS ENHANCERS FOR IMPROVING VASCULAR ENDOTHELIAL FUNCTION | Celagenex Research (India) Pvt. Ltd. (IN) | 2020-07-09 | — | — | WO | claimed |
| CN-110087609-B | Water-in-oil emulsion containing baicalin, xanthine base, vitamin B3, and polyvalent metal cation salt | 莱雅公司 | 2022-11-15 | — | — | CN | disclosed |
| WO-2020141552-A1 | POTENT SYNERGISTIC COMPOSITIONS OF VASOACTIVE MEDIATORS ENHANCERS FOR IMPROVING VASCULAR ENDOTHELIAL FUNCTION | Celagenex Research (India) Pvt. Ltd. (IN) | 2020-07-09 | — | — | WO | disclosed |
| WO-2020115765-A1 | NOVEL SYNERGISTIC COMPOSITION COMPRISING SIRT1 AND AMPK ACTIVATORS FOR TREATING METABOLIC SYNDROME | Celagenex Research (India) Pvt. Ltd. (IN) | 2020-06-11 | — | — | WO | disclosed |
| EP-2894975-B1 | SOLUTIONS FOR PROTECTING, PERFUSING AND STORING ORGANS DURING SURGICAL PROCEDURES IN PARTICULAR TRANSPLANTATIONS | TRANSMEDIUM SP Z O O (PL) | 2018-11-28 | — | — | EP | disclosed |
| EP-2894975-A1 | SOLUTIONS FOR PROTECTING, PERFUSING AND STORING ORGANS DURING SURGICAL PROCEDURES IN PARTICULAR TRANSPLANTATIONS | Transmedium Sp. z o.o. (PL) | 2015-07-22 | — | — | EP | disclosed |
| WO-2014042545-A1 | SOLUTIONS FOR PROTECTING, PERFUSING AND STORING ORGANS DURING SURGICAL PROCEDURES IN PARTICULAR TRANSPLANTATIONS | TRANSMEDIUM SP. Z O.O. (PL) | 2014-03-20 | — | — | WO | disclosed |
| US-20070078100-A1 | Methods of detecting poly(adp-ribose) polymerase and other nad+ utilizing enzymes | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) | 2007-04-05 | — | — | US | disclosed |
| US-6967196-B1 | Sulfonamide compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-11-22 | — | — | US | disclosed |
| WO-2005038043-A2 | METHODS OF DETECTING POLY (ADP-RIBOSE) POLYMERASE AND OTHER NAD+UTILIZING ENZYMES | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2005-04-28 | — | — | WO | disclosed |
| EP-1079832-A1 | USE OF VITAMIN PP COMPOUNDS | Klinge Pharma GmbH (DE) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999053920-A1 | USE OF VITAMIN PP COMPOUNDS | KLINGE PHARMA GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10864207-B2 | Method of treating endothelial dysfunction | NNMT, NOS1, NOS2 | HDAC1 556/4885HDAC6 3706/4885ROCK2 198/4885 |
| US-20070078100-A1 | Methods of detecting poly(adp-ribose) polymerase and other nad+ utilizing enzymes | PARP1, PARP11, PARP3 | HDAC1 1153/4885HDAC6 1037/4885ROCK2 3981/4885 |
| US-20200222383-A1 | POTENT SYNERGISTIC COMPOSITIONS OF VASOACTIVE MEDIATORS ENHANCERS FOR IMPROVING VASCULAR ENDOTHELIAL FUNCTION | NNMT, NOS1, NOS2 | HDAC1 490/4885HDAC6 4147/4885ROCK2 343/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.