Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.38 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.48 |
| ▸ | ASPH | Q12797 | 4/20 | 0.48 |
| ▸ | KDM8 | Q8N371 | 3/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.43 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.42 |
| ▸ | TET3 | O43151 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM5C | P41229 | 1/20 | 0.42 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.42 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.42 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5263152 | 0.98 | KDM4E (0.50) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL9318569 | 0.80 | KDM4E (0.62) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL15793363 | 0.80 | KDM4E (0.57) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL27106805 | 0.78 | KDM4E (0.48) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL31220772 | 0.78 | KDM4E (0.46) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL3408048 | 0.78 | KDM4E (0.46) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL9424897 | 0.78 | EGFR (0.58) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL31220823 | 0.78 | KDM4E (0.66) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL5917874 | 0.78 | KDM4E (0.46) | KDM4EASPHKDM8P4HTMP4HA1 | |
| SCHEMBL14818659 | 0.77 | ALDH1A1 (0.39) | KDM4EASPHKDM8ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5532354-A | ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-02 | — | — | US | disclosed |
| US-5401734-A | MICROBIOCIDES | FUJISAWA PHAMACEUTICAL CO., LTD. (JP) | 1995-03-28 | — | — | US | disclosed |
| US-5244890-A | Treatment of infectious diseases | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0345671-A2 | Cephem compounds and processes for preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1989-12-13 | — | — | EP | disclosed |