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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.44 |
| ▸ | MMP13 known ✓ | P45452 | 4/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.65 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL604612 | 0.97 | — | — | |
| SCHEMBL54112 | 0.97 | — | — | |
| SCHEMBL29539859 | 0.97 | GPR84 (0.68) | GPR84SLC22A6MAPTGABRR1LMNA | |
| SCHEMBL20843 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL10664736 | 0.95 | GPR84 (0.65) | GPR84SLC22A6MAPTGABRR1LMNA | |
| Ethane SCHEMBL6325072 | 0.95 | GPR84 (0.65) | GPR84SLC22A6MAPTGABRR1LMNA | |
| Methane SCHEMBL28702836 | 0.95 | GPR84 (0.65) | GPR84SLC22A6MAPTGABRR1LMNA | |
| SCHEMBL28422013 | 0.91 | GPR84 (0.61) | GPR84SLC22A6MAPTGABRR1LMNA | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL1272463 | 0.89 | GPR84 (0.59) | GPR84SLC22A6MAPTGABRR1LMNA | |
| SCHEMBL21552564 | 0.89 | GPR84 (0.70) | GPR84SLC22A6MAPTGABRR1LMNA |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220411748-A1 | CELL CULTURE MEDIA | MERCK PATENT GMBH (DE) | 2022-12-29 | — | — | US | disclosed |
| US-20200209239-A1 | PHARMACEUTICALS AND METHODS FOR TREATING HYPOXIA AND SCREENING METHODS THEREFOR | DANA FARBER CANCER INSTITUTE, INC. (US) | 2020-07-02 | — | — | US | disclosed |
| US-10365278-B2 | Pharmaceuticals and methods for treating hypoxia and screening methods therefor | DANA FARBER CANCER INSTITUTE (US) | 2019-07-30 | — | — | US | disclosed |
| US-20170350891-A1 | PHARMACEUTICALS AND METHODS FOR TREATING HYPOXIA AND SCREENING METHODS THEREFOR | DANA FARBER CANCER INSTITUTE, INC. (US) | 2017-12-07 | — | — | US | disclosed |
| US-9765371-B2 | Thermostable C. bescii enzymes | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-09-19 | — | — | US | disclosed |
| US-20150140073-A1 | Heparosan-Multimolecular Assembly Drug Delivery Compositions and Methods of Making and Using Same | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA | 2015-05-21 | — | — | US | disclosed |
| US-20150093790-A1 | THERMOSTABLE C. BESCII ENZYMES | The Board pf Trustees of the University of Illinois (US) | 2015-04-02 | — | — | US | disclosed |
| US-8809011-B2 | HIFα hydroxylation assay | DANA FARBER CANCER INSTITUTE (US) | 2014-08-19 | — | — | US | disclosed |
| US-20130115221-A1 | HIFa prolyl hydroxylation assay | DANA FARBER CANCER INSTITUTE, INC. (US) | 2013-05-09 | — | — | US | disclosed |
| US-7985563-B2 | HIFαprolyl hydroxylation assay | DANA FARBER CANCER INSTITUTE, INC. (US) | 2011-07-26 | — | — | US | disclosed |
| EP-0408336-B1 | Antitumor antibiotic BU-3285T | BRISTOL MYERS SQUIBB CO (US) | 1994-09-07 | — | — | EP | disclosed |
| EP-0306605-B1 | ANTITUMOR PLATINUM COMPLEXES | Bristol-Myers Squibb Company (US) | 1992-10-14 | — | — | EP | disclosed |
| WO-1992010479-A1 | AMIDIC DERIVATIVES OF GLUTAMIC, ASPARTIC AND 2-AMINO ADIPIC ACIDS WITH ANTIGASTRIN ACTIVITY | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1992-06-25 | — | — | WO | disclosed |
| EP-0408336-A2 | Antitumor antibiotic BU-3285T | Bristol-Myers Squibb Company (US) | 1991-01-16 | — | — | EP | disclosed |
| EP-0318464-A2 | Antitumor platinum complexes | Bristol-Myers Squibb Company (US) | 1989-05-31 | — | — | EP | disclosed |
| EP-0306605-A1 | Antitumor platinum complexes | Bristol-Myers Squibb Company (US) | 1989-03-15 | — | — | EP | disclosed |
| EP-0036713-B1 | ANGIOTENSIN CONVERTING ENZYME INHIBITORS | UNIVERSITY OF MIAMI (US) | 1984-01-18 | — | — | EP | disclosed |
| EP-0036713-A2 | Angiotensin converting enzyme inhibitors | UNIVERSITY OF MIAMI (US) | 1981-09-30 | — | — | EP | disclosed |
| EP-0035383-A1 | Angiotensin converting enzyme inhibitors | UNIVERSITY OF MIAMI (US) | 1981-09-09 | — | — | EP | disclosed |
| WO-1981000256-A1 | (N-PHOSPHONACETYL-L-ASPARTATO)(1,2-DIAMINOCYCLOHEXANE)-PLATINUM(II)OR ALKALI METAL SALT | US COMMERCE (US) | 1981-02-05 | — | — | WO | disclosed |