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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.74 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.45 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL21297 | 0.97 | TDP1 (0.78) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6207952 | 0.95 | TDP1 (0.74) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| SCHEMBL12772920 | 0.89 | TDP1 (0.93) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Water SCHEMBL1065337 | 0.89 | TDP1 (0.93) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Water SCHEMBL10589317 | 0.89 | TDP1 (0.93) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Water SCHEMBL3137651 | 0.89 | TDP1 (0.93) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28836366 | 0.86 | TDP1 (0.88) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1646515 | 0.86 | TDP1 (0.88) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL866164 | 0.86 | TDP1 (0.88) | TDP1MEN1KMT2ACYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30078382 | 0.86 | TDP1 (0.88) | TDP1MEN1KMT2ACYP3A4ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0820805-B1 | Use of a polyhydrazidoimide membrane for the seperation of air | DAINIPPON INK & CHEMICALS (JP) | 2002-09-04 | — | — | EP | disclosed |
| US-5972080-A | STRENGTH, DURABILITY, SOLVENT RESISTANCE, HEAT RESISTANCE; GAS SEPARATION | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1999-10-26 | — | — | US | disclosed |
| EP-0820805-A2 | Separation membrane | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1998-01-28 | — | — | EP | disclosed |