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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | KCNJ11 known ✓ | Q14654 | 1/20 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.34 |
| ▸ | CRBN known ✓ | Q96SW2 | 2/20 | 0.32 |
| ▸ | PDE3B known ✓ | Q13370 | 2/20 | 0.32 |
| ▸ | PDE3A known ✓ | Q14432 | 2/20 | 0.32 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7950943 | 0.83 | CRBN (0.33) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL7952055 | 0.75 | ALDH1A1 (0.42) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL6617261 | 0.74 | CRBN (0.38) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL6617400 | 0.69 | NCOA3 (0.36) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL8584026 | 0.69 | MEN1 (0.36) | CYP3A4CYP2D6CYP1A2ALDH1A1LMNA | |
| SCHEMBL7951974 | 0.62 | ALDH1A1 (0.41) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL7951970 | 0.62 | HTT (0.41) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL30885702 | 0.62 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL30885703 | 0.62 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR | |
| SCHEMBL30885710 | 0.62 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP1A2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0906297-B1 | 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE | UNIV LIEGE (BE) | 2004-02-25 | — | — | EP | disclosed |
| US-6242443-B1 | 1,2,4-benzothiadiazine derivatives, their preparation and use | NOVO NORDISK AIS (DK) | 2001-06-05 | — | — | US | disclosed |
| EP-0906297-A1 | 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997049692-A1 | 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1997-12-31 | — | — | WO | disclosed |