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 | 9/20 | 0.75 |
| ▸ | THRA known ✓ | P10827 | 6/20 | 0.75 |
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.75 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.75 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.75 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.72 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.72 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.72 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.72 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.72 |
| ▸ | PCNA | P12004 | 6/20 | 0.97 |
| ▸ | LMNA | P02545 | 4/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.75 |
| ▸ | PPARG | P37231 | 3/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | GABRP | O00591 | 1/20 | 0.75 |
| ▸ | GABRD | O14764 | 1/20 | 0.75 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.75 |
| ▸ | F2 | P00734 | 1/20 | 0.75 |
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 SCHEMBL28780879 | 1.00 | PCNA (0.97) | PCNATHRBTHRALMNAMEN1 | |
| SCHEMBL428139 | 0.99 | PCNA (1.00) | PCNATHRBTHRALMNAMEN1 | |
| SCHEMBL1487713 | 0.99 | PCNA (1.00) | PCNATHRBTHRALMNAMEN1 | |
| SCHEMBL445767 | 0.99 | PCNA (1.00) | PCNATHRBTHRALMNAMEN1 | |
| SCHEMBL4439595 | 0.97 | PCNA (0.97) | PCNATHRBTHRALMNAMEN1 | |
| SCHEMBL11198581 | 0.91 | PCNA (0.86) | PCNATHRBTHRALMNAMEN1 | |
| SCHEMBL19048382 | 0.90 | PCNA (0.84) | PCNATHRBTHRALMNAMEN1 | |
| Azobenzene SCHEMBL11883187 | 0.90 | PCNA (0.82) | PCNATHRBTHRALMNAMEN1 | |
| Azobenzene SCHEMBL11883178 | 0.90 | PCNA (0.82) | PCNATHRBTHRALMNAMEN1 | |
| SCHEMBL5124875 | 0.89 | PCNA (0.81) | PCNATHRBTHRALMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230082555-A1 | Composition for Medium | KATAOKA CORPORATION (JP) | 2023-03-16 | — | — | US | disclosed |
| EP-4083194-A1 | COMPOSITION FOR MEDIUM | Kataoka Corporation (JP) | 2022-11-02 | — | — | EP | disclosed |
| CN-114729312-A | Composition for culture medium | 株式会社片冈制作所 | 2022-07-08 | — | — | CN | disclosed |