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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL28343881 | 0.99 | PPARA (0.48) | PPARAALDH1A1KDM4EPOLBGAA | |
| SCHEMBL27626904 | 0.98 | PPARA (0.49) | PPARAALDH1A1KDM4EPOLBGAA | |
| SCHEMBL27338617 | 0.75 | TSHR (0.41) | ALDH1A1KDM4EPOLBMEN1KMT2A | |
| SCHEMBL8351572 | 0.75 | TSHR (0.41) | ALDH1A1KDM4EPOLBMEN1KMT2A | |
| SCHEMBL6002127 | 0.75 | TSHR (0.41) | ALDH1A1KDM4EPOLBMEN1KMT2A | |
| SCHEMBL28808617 | 0.75 | PTPN11 (0.42) | ALDH1A1MEN1KMT2APLK1PTPN11 | |
| SCHEMBL27968387 | 0.75 | ESR1 (0.34) | ALDH1A1S1PR3PLA2G2ATP53TSHR | |
| SCHEMBL9148768 | 0.74 | ALDH1A1 (0.50) | PPARAALDH1A1KDM4EPOLBGAA | |
| SCHEMBL6003116 | 0.73 | LTA4H (0.41) | ALDH1A1MEN1KMT2AL3MBTL1TP53 | |
| SCHEMBL27717214 | 0.73 | MEN1 (0.45) | ALDH1A1KDM4EKAT8MEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118234628-A | Thermosensitive recording medium | 日本制纸株式会社 | 2024-06-21 | — | — | CN | disclosed |
| CN-117098670-A | Thermosensitive recording medium | 日本制纸株式会社 | 2023-11-21 | — | — | CN | disclosed |
| CN-117042978-A | Thermosensitive recording medium | 日本制纸株式会社 | 2023-11-10 | — | — | CN | disclosed |
| CN-114786957-B | Thermosensitive recording medium | 日本制纸株式会社 | 2023-08-29 | — | — | CN | disclosed |
| CN-114502389-B | Thermosensitive recording medium | 日本制纸株式会社 | 2023-07-14 | — | — | CN | disclosed |
| CN-111801225-B | Thermosensitive recording medium | 日本制纸株式会社 | 2022-11-08 | — | — | CN | disclosed |
| CN-114761379-A | Color-developing agent and heat-sensitive recording material | 三菱化学株式会社 | 2022-07-15 | — | — | CN | disclosed |
| CN-110234515-B | Recording material and recording sheet | 日本曹达株式会社 | 2022-02-11 | — | — | CN | disclosed |