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 | 1/20 | 0.33 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.33 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.32 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.35 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.35 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL470219 | 0.97 | — | — | |
| SCHEMBL7785235 | 0.79 | ALDH1A1 (0.50) | TDP1CA2CA1ALDH1A1KMT2A | |
| SCHEMBL26725099 | 0.79 | ALDH1A1 (0.50) | TDP1CA2CA1ALDH1A1KMT2A | |
| SCHEMBL20287989 | 0.73 | ALDH1A1 (0.50) | TDP1GLAALDH1A1KMT2AMEN1 | |
| SCHEMBL10263396 | 0.73 | MGLL (0.45) | ALDH1A1KMT2ALMNAMEN1PRSS1 | |
| SCHEMBL257863 | 0.73 | LTA4H (0.57) | CA2CA1CA9TSHRSMN1; SMN2 | |
| SCHEMBL257864 | 0.72 | ALDH1A1 (0.64) | TDP1ALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL21975473 | 0.70 | L3MBTL1 (0.50) | GLAALDH1A1KMT2ALMNAMEN1 | |
| SCHEMBL14644816 | 0.69 | ALDH1A1 (0.45) | CA2CA1ALDH1A1KMT2ALMNA | |
| SCHEMBL23048310 | 0.69 | MAOA (0.50) | TDP1ALDH1A1ALOX15HPGDHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101343251-B | Thrombopoietin mimetics | SMITHKLINE BEECHAM CORP | 2011-11-09 | — | — | CN | disclosed |
| CN-101343250-B | Thrombopoietin mimetics | SMITHKLINE BEECHAM CORP | 2011-09-21 | — | — | CN | disclosed |
| CN-101343250-A | Thrombopoietin mimetics | SMITHKLINE BEECHAM CORP (US) | 2009-01-14 | — | — | CN | disclosed |
| CN-101343251-A | Thrombopoietin mimetics | SMITHKLINE BEECHAM CORP (US) | 2009-01-14 | — | — | CN | disclosed |