Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Hydrazine. 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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 7/20 | 0.51 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrazine SCHEMBL26614899 | 0.98 | PARP1 (0.53) | PARP1AURKAHSP90AA1ALOX5NPC1 | |
| SCHEMBL3653358 | 0.94 | PARP1 (0.56) | PARP1AURKAHSP90AA1ALOX5NPC1 | |
| Hydrazine SCHEMBL26615185 | 0.74 | ALOX5 (0.61) | PARP1ALOX5ALDH1A1CYP1A2KDM4E | |
| SCHEMBL29883758 | 0.74 | PARP1 (0.55) | PARP1AURKAALOX5ALDH1A1KDM4E | |
| SCHEMBL2065666 | 0.74 | PARP1 (0.55) | PARP1AURKAALOX5ALDH1A1KDM4E | |
| SCHEMBL11014041 | 0.74 | PARP1 (0.52) | PARP1AURKAHSP90AA1ALOX5CYP3A4 | |
| SCHEMBL14933613 | 0.69 | PARP1 (0.77) | PARP1AURKAHSP90AA1NPC1L3MBTL1 | |
| SCHEMBL10528960 | 0.69 | PARP1 (0.70) | PARP1AURKAMEN1MAPTKMT2A | |
| SCHEMBL179055 | 0.69 | PARP1 (0.34) | PARP1AURKAALDH1A1MEN1KMT2A | |
| SCHEMBL30910462 | 0.68 | PARP1 (1.00) | PARP1AURKAALDH1A1CYP1A2KDM4E |
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-1129090-A1 | PENTAAZA-CYCLOPENTA A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABA A? $g(a)5 RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029412-A1 | PENTAAZA-CYCLOPENTA[A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABAA α5 RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-05-25 | — | — | WO | disclosed |