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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.35 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.32 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.32 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1785109 | 0.97 | CA12 (0.42) | CA12CA1CA9TSHRLMNA | |
| Hydrochloric Acid SCHEMBL6233207 | 0.93 | DNM1 (0.41) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL28756631 | 0.90 | DNM1 (0.48) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL9463621 | 0.84 | DNM1 (0.55) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL10454324 | 0.84 | DNM1 (0.55) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL10748735 | 0.84 | DNM1 (0.55) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL5694373 | 0.84 | DNM1 (0.55) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL10749508 | 0.84 | DNM1 (0.55) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL10529077 | 0.84 | DNM1 (0.55) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL9372878 | 0.84 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0859635-B1 | STABILISED PHARMACEUTICAL COMPOSITIONS CONTAINING DOBUTAMINE | RHONE POULENC RORER SA (FR) | 1999-04-21 | — | — | EP | claimed |
| US-7399483-B2 | Carrier with solid fibrinogen and solid thrombin | NYCOMED PHARMA AS (NO) | 2008-07-15 | — | — | US | disclosed |
| US-20060193846-A1 | Carrier with solid fibrinogen and solid thrombin | TOPAZ INVESTMENT AS (NO) | 2006-08-31 | — | — | US | disclosed |
| US-7052713-B2 | Carrier with solid fibrinogen and solid thrombin | NYCOMED PHARMA AS (NO) | 2006-05-30 | — | — | US | disclosed |
| EP-1547626-A2 | Carrier with solid fibrinogen and solid thrombin | Nycomed Pharma AS (NO) | 2005-06-29 | — | — | EP | disclosed |
| EP-1343542-B1 | CARRIER WITH SOLID FIBRINOGEN AND SOLID THROMBIN | NYCOMED PHARMA AS (NO) | 2005-03-23 | — | — | EP | disclosed |
| US-20050008632-A1 | Carrier with solid fibrinogen and solid thrombin | TOPAZ INVESTMENT AS (NO) | 2005-01-13 | — | — | US | disclosed |
| US-6733774-B2 | USEFUL FOR TISSUE GLUING, TISSUE SEALING AND HAEMOSTASIS | NYCOMED PHARMA AS (NO) | 2004-05-11 | — | — | US | disclosed |
| EP-1343542-A2 | CARRIER WITH SOLID FIBRINOGEN AND SOLID THROMBIN | Nycomed Pharma AS (NO) | 2003-09-17 | — | — | EP | disclosed |
| US-20020187194-A1 | Carrier with solid fibrinogen and solid thrombin | TOPAZ INVESTMENT AS (NO) | 2002-12-12 | — | — | US | disclosed |
| WO-2002058749-A2 | CARRIER WITH SOLID FIBRINOGEN AND SOLID THROMBIN | NYCOMED PHARMA AS (NO) | 2002-08-01 | — | — | WO | disclosed |
| EP-0859635-B1 | STABILISED PHARMACEUTICAL COMPOSITIONS CONTAINING DOBUTAMINE | RHONE POULENC RORER SA (FR) | 1999-04-21 | — | — | EP | disclosed |