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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 6/20 | 0.47 |
| ▸ | MMP13 known ✓ | P45452 | 4/20 | 0.47 |
| ▸ | MMP8 known ✓ | P22894 | 4/20 | 0.47 |
| ▸ | MMP7 known ✓ | P09237 | 1/20 | 0.47 |
| ▸ | BMP1 | P13497 | 11/20 | 0.49 |
| ▸ | MMP2 | P08253 | 6/20 | 0.48 |
| ▸ | MMP9 | P14780 | 5/20 | 0.48 |
| ▸ | MMP3 | P08254 | 4/20 | 0.47 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.46 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8016090 | 0.99 | BMP1 (0.49) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL8012719 | 0.91 | BMP1 (0.49) | BMP1MMP2MMP9MMP1MMP3 | |
| Hydrochloric Acid SCHEMBL8003281 | 0.90 | BMP1 (0.47) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL8011729 | 0.90 | BMP1 (0.48) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL8003307 | 0.90 | ALDH1A1 (0.51) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL27547037 | 0.89 | BMP1 (0.58) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL7451098 | 0.89 | BMP1 (0.58) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL8015014 | 0.87 | BMP1 (0.54) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL8011791 | 0.86 | BMP1 (0.49) | BMP1MMP2MMP9MMP1MMP3 | |
| SCHEMBL8014668 | 0.85 | MMP2 (0.57) | BMP1MMP2MMP9MMP1MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6153609-A | Arylsulfonylamino hydroxamic acid derivatives | PFIZER INC (US) | 2000-11-28 | — | — | US | disclosed |
| CN-1228083-A | Arylsulfonylamino hydroxamic acid derivatives | PFIZER (US) | 1999-09-08 | — | — | CN | disclosed |