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 | |
|---|---|---|---|---|
| ▸ | PDE3B known ✓ | Q13370 | 2/20 | 0.50 |
| ▸ | PDE3A known ✓ | Q14432 | 2/20 | 0.50 |
| ▸ | GRIN2A known ✓ | Q12879 | 2/20 | 0.44 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.42 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.95 |
| ▸ | CA9 | Q16790 | 5/20 | 0.95 |
| ▸ | CA1 | P00915 | 2/20 | 0.95 |
| ▸ | CA4 | P22748 | 2/20 | 0.95 |
| ▸ | CA6 | P23280 | 2/20 | 0.95 |
| ▸ | CA3 | P07451 | 1/20 | 0.95 |
| ▸ | CA5A | P35218 | 1/20 | 0.95 |
| ▸ | CA7 | P43166 | 1/20 | 0.95 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.95 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.95 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | F11 | P03951 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
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 SCHEMBL10661261 | 1.00 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| Water SCHEMBL29567423 | 1.00 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| Water SCHEMBL28196051 | 1.00 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| Hydrochloric Acid SCHEMBL7181614 | 0.98 | CA12 (0.91) | CA12CA9CA1CA4CA6 | |
| SCHEMBL8621 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| SCHEMBL29351086 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| SCHEMBL30958273 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| SCHEMBL5437282 | 0.98 | CA12 (1.00) | CA12CA9CA1CA4CA6 | |
| Hydrochloric Acid SCHEMBL4429445 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 | |
| SCHEMBL14353322 | 0.95 | CA12 (0.95) | CA12CA9CA1CA4CA6 |
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-103282364-B | Imidazo [4, 5 -] quinolin- 2 -one compound and its use as pi3 kinase / MTOR dual inhibitor | LILLY CO ELI | 2015-06-17 | — | — | CN | disclosed |
| CN-103282364-A | Imidazo [4, 5 -] quinolin- 2 -one compound and its use as pi3 kinase / MTOR dual inhibitor | LILLY CO ELI | 2013-09-04 | — | — | CN | disclosed |
| CN-1101391-C | Farnesyl transferase inhibiting 2-quinolone derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-12 | — | — | CN | disclosed |
| CN-1041726-C | 1.3-Dihydro-2H-Imidazo{4,5-6} Quinolin-2-One derivatives. | JANSSEN PHARMACEUTICA NV (BE) | 1999-01-20 | — | — | CN | disclosed |
| CN-1200732-A | Farnesyl transferase inhibiting 2-quinolone derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1998-12-02 | — | — | CN | disclosed |
| CN-1072681-A | 1,3-dihydro-2H-imidazo [4,5-b] quinoline-2-one-derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1993-06-02 | — | — | CN | disclosed |
| CN-1016175-B | Imidazoquinoline antithrombin cardiotonic agents | BRISTOL MYERS CO (US) | 1992-04-08 | — | — | CN | disclosed |
| CN-86102747-A | The preparation method of imidazoquinoline antithombogehic cardiotonic agents | — | 1987-02-04 | — | — | CN | disclosed |