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 | |
|---|---|---|---|---|
| ▸ | CRBN known ✓ | Q96SW2 | 4/20 | 0.48 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.48 |
| ▸ | HTR2B known ✓ | P41595 | 5/20 | 0.33 |
| ▸ | PARP1 known ✓ | P09874 | 3/20 | 0.33 |
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.33 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.33 |
| ▸ | HTR2A known ✓ | P28223 | 5/20 | 0.32 |
| ▸ | HTR2C known ✓ | P28335 | 4/20 | 0.32 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.31 |
| ▸ | IKZF1 | Q13422 | 2/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | TNF | P01375 | 1/20 | 0.48 |
| ▸ | IL1B | P01584 | 1/20 | 0.48 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27626192 | 0.99 | CRBN (0.49) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL27941022 | 0.87 | CRBN (0.51) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL25231071 | 0.83 | MAPK1 (0.38) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL27776479 | 0.82 | KMT2A (0.40) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL26094774 | 0.82 | MAPK1 (0.37) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL28901526 | 0.81 | MAPK1 (0.36) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL26094954 | 0.80 | MAPK1 (0.35) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL25419396 | 0.80 | HTR2C (0.39) | CRBNIKZF1BRD4TNFIL1B | |
| SCHEMBL27899084 | 0.79 | CRBN (0.46) | CRBNIKZF1TNFIL1BDDB1 | |
| SCHEMBL25421957 | 0.79 | CRBN (0.36) | CRBNIKZF1BRD4TNFIL1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104059052-A | Hydrates Of 3-(4-amino-1-oxo-1,3 Dihydro-isoindol-2-yl)-piperidine-2,6-dione | CELGENE CORP | 2014-09-24 | — | — | CN | claimed |