Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 SCHEMBL430526 | 1.00 | — | — | |
| Water SCHEMBL3835534 | 1.00 | — | — | |
| Water SCHEMBL9003163 | 1.00 | CA1 (0.33) | — | |
| Water SCHEMBL1313632 | 1.00 | CA1 (0.33) | — | |
| Water SCHEMBL8984178 | 1.00 | CA1 (0.33) | — | |
| Water SCHEMBL1333092 | 1.00 | — | — | |
| Water SCHEMBL9156696 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4599079 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL6655618 | 0.82 | — | — | |
| Water SCHEMBL5683991 | 0.82 | — | — |
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
Appears in 2569886 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6440646-B1 | — | — | None | — | — | US | claimed |
| US-9976092-B2 | Determining modified TAN-IR in crude oil | FINA TECHNOLOGY, INC. (US) | 2018-05-22 | — | — | US | claimed |
| US-9974730-B2 | Oral care compositions and methods | COLGATE-PALMOLIVE COMPANY (US) | 2018-05-22 | — | — | US | claimed |
| US-9976233-B2 | Recycling method of waste fishnet | KE HAN CHE (TW) | 2018-05-22 | — | — | US | claimed |
| US-9974896-B2 | Method of zirconium phosphate recharging | MEDTRONIC, INC. (US) | 2018-05-22 | — | — | US | claimed |
| US-9974827-B2 | Vasopressin formulations for use in treatment of hypotension | PAR PHARMACEUTICAL, INC. (US) | 2018-05-22 | — | — | US | claimed |
| US-9975646-B2 | Aerospace transparency having moisture sensors | PPG INDUSTRIES OHIO, INC. (US) | 2018-05-22 | — | — | US | claimed |
| US-9974723-B2 | Oral care compositions comprising calcium carbonate and silica | COLGATE-PALMOLIVE COMPANY (US) | 2018-05-22 | — | — | US | claimed |
| US-20180134830-A1 | PROCESS FOR THE CONTINUOUS POLYMERIZATION OF A DIENE ELASTOMER | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2018-05-17 | — | — | US | claimed |
| US-20180133686-A1 | Methods for Treating Filled Microporous Membranes | PPG INDUSTRIES OHIO, INC. | 2018-05-17 | — | — | US | claimed |
| US-3935256-A | Process for the production of the calcium salt of pantothenic acid | THOMPSON-HAYWARD CHEM. CO. (US) | 1976-01-27 | — | — | US | claimed |
| US-3935097-A | Acid and alcohol carrier for HF-H2 O chromatographic separation using anion exchange resin | PHILLIPS PETROLEUM COMPANY (US) | 1976-01-27 | — | — | US | claimed |
| US-3935035-A | CHROMIUM COMPOUND | NIPPON STEEL CORPORATION (JA) | 1976-01-27 | — | — | US | claimed |
| US-3933851-A | Preparation of aromatic 2-imino-1,3-dithietanes | AMERICAN CYANAMID COMPANY (US) | 1976-01-20 | — | — | US | claimed |
| US-3933603-A | ELECTROLYSIS OF ALKALI METAL CHLORIDE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1976-01-20 | — | — | US | claimed |
| US-3932592-A | Process for preparing cathodochromic sodalite | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1976-01-13 | — | — | US | claimed |
| US-3932584-A | Method for purifying hydrogen sulfide-containing gas | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1976-01-13 | — | — | US | claimed |
| US-3932620-A | Ketones and ketoximes derived from acid S, an antibiotic produced by polyangium cellulosum var. fulvum | WARNER-LAMBERT COMPANY (US) | 1976-01-13 | — | — | US | claimed |
| US-3930998-A | NITROGEN REMOVAL | STERLING DRUG INC. (US) | 1976-01-06 | — | — | US | claimed |
| US-3931148-A | ALKALI SOLUBLE SURFACTANT | BASF WYANDOTTE CORPORATION (US) | 1976-01-06 | — | — | US | claimed |