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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 SCHEMBL16164192 | 1.00 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Water SCHEMBL439120 | 1.00 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Water SCHEMBL20943480 | 0.96 | TSHR (0.40) | TSHRLMNATHRBALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL28850771 | 0.96 | TSHR (0.40) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL28663513 | 0.96 | TSHR (0.46) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL22532 | 0.96 | — | — | |
| SCHEMBL11341378 | 0.96 | TSHR (0.46) | TSHRLMNATHRBALDH1A1TDP1 | |
| Bromide SCHEMBL2253287 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Hydrogen Sulfide SCHEMBL4743461 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL9798977 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 |
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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0982331-B1 | An improved process for the preparation of stable aqueous urethane dispersions | COUNCIL SCIENT IND RES (IN) | 2005-10-26 | — | — | EP | claimed |
| US-6239213-B1 | FROM AN ISOCYNATE TERMINATED CARBOXYL GROUP CONTAINING PREPOLYMER | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2001-05-29 | — | — | US | claimed |
| US-6123988-A | Process for the preparation of polyurethane spherical particle | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2000-09-26 | — | — | US | claimed |
| EP-0982331-A1 | An improved process for the preparation of stable aqueous urethane dispersions | Council of Scientific and Industrial Research (IN) | 2000-03-01 | — | — | EP | claimed |
| EP-0982330-A1 | An improved process for the preparation of polyurethane spherical particle | Council of Scientific and Industrial Research (IN) | 2000-03-01 | — | — | EP | claimed |
| EP-0661359-A1 | Paint compositions containing reactive urea/urethanes | BASF CORPORATION (US) | 1995-07-05 | — | — | EP | claimed |
| EP-0661361-A1 | Automotive undercoat coating compositions containing reactive urea/urethane compounds | BASF CORPORATION (US) | 1995-07-05 | — | — | EP | claimed |
| EP-3257890-B1 | CROSSLINKABLE COMPOSITION | ALLNEX NETHERLANDS BV (NL) | 2021-06-02 | — | — | EP | disclosed |
| EP-2813497-B1 | Dental composition | DENTSPLY DETREY GMBH (DE) | 2019-08-28 | — | — | EP | disclosed |
| EP-3257890-A1 | CROSSLINKABLE COMPOSITION | Allnex Netherlands B.V. (NL) | 2017-12-20 | — | — | EP | disclosed |
| EP-2985308-B1 | CROSSLINKABLE COMPOSITION | ALLNEX NETHERLANDS BV (NL) | 2017-07-19 | — | — | EP | disclosed |
| US-9534081-B2 | Crosslinkable composition crosslinkable with a latent base catalyst | NUPLEX RESINS B.V. (NL) | 2017-01-03 | — | — | US | disclosed |
| EP-2556106-B1 | CROSSLINKABLE COMPOSITION CROSSLINKABLE WITH A LATENT BASE CATALYST | NUPLEX RESINS BV (NL) | 2016-08-10 | — | — | EP | disclosed |
| EP-0661359-A1 | Paint compositions containing reactive urea/urethanes | BASF CORPORATION (US) | 1995-07-05 | — | — | EP | disclosed |
| EP-0661361-A1 | Automotive undercoat coating compositions containing reactive urea/urethane compounds | BASF CORPORATION (US) | 1995-07-05 | — | — | EP | disclosed |
| EP-0661360-A1 | Low VOC clearcoat compositions containing reactive urea/urethane oligomers | BASF CORPORATION (US) | 1995-07-05 | — | — | EP | disclosed |
| US-4888383-A | CHAIN EXTENSION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-12-19 | — | — | US | disclosed |
| EP-0264834-A1 | Electrodeposition coating composition | Nippon Paint Co., Ltd. (JP) | 1988-04-27 | — | — | EP | disclosed |
| US-4430505-A | UREA, PRIMARY AMINES, ALCOHOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1984-02-07 | — | — | US | disclosed |
| US-4281076-A | CURING AT LOW TEMPERATURE, COMPRISING A DIBASIC ACID, A BLOCKED ISOCYANATE AND A TIN COMPOUND | KANSAI PAINT COMPANY, LIMITED (JP) | 1981-07-28 | — | — | US | disclosed |