Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
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 SCHEMBL3419843 | 1.00 | HIF1A (0.56) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| Water SCHEMBL3417999 | 1.00 | HIF1A (0.56) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| Water SCHEMBL3417396 | 1.00 | HIF1A (0.56) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| Water SCHEMBL8530177 | 1.00 | HIF1A (0.56) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| Water SCHEMBL8531700 | 1.00 | HIF1A (0.56) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL31614995 | 0.98 | HIF1A (0.58) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL31168138 | 0.98 | HIF1A (0.58) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| Decyltriphenylphosphonium SCHEMBL29772910 | 0.98 | HIF1A (0.58) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| Water SCHEMBL7695338 | 0.98 | HIF1A (0.58) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL29375680 | 0.98 | HIF1A (0.58) | HIF1ATRAP1CHRNA7ALDH1A1CYP1A2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |
| US-7629431-B2 | Polycarbonate prepolymer for solid phase polymerization and process for producing polycarbonate | IDEMITSU KOSAN CO., LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-7390868-B2 | Catalyst for polycarbonate production and process for producing polycarbonate | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-06-24 | — | — | US | disclosed |
| US-20080064847-A1 | Oxidative carbonylation; molecular weight control | IDEMISU KOSAN CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |
| US-20070043199-A1 | Catalyst for polycarbonate production and process for producing polycarbonate | IDEMITSU KOSAN CO., LTD. (JP) | 2007-02-22 | — | — | US | disclosed |
| US-6476249-B1 | Copolycarbonate and process for producing the same | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2002-11-05 | — | — | US | disclosed |
| US-6462165-B1 | REDUCED CONTENT OF IMPURITIES SUCH AS REMAINING MONOMERS AND OLIGOMERS AND HAVING EXCELLENT PHYSICAL PROPERTIES SUCH AS IMPACT STRENGTH, AND ALSO TO OPTICAL MATERIALS AND BLOW MOLDING MATERIALS | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2002-10-08 | — | — | US | disclosed |
| US-6399738-B1 | OXIDATIVE CARBONYLATION OF AROMATIC HYDROXY COMPOUND WITH CARBON MONOXIDE AND OXYGEN | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2002-06-04 | — | — | US | disclosed |
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | disclosed |
| US-6245878-B1 | POLYMERIZING POLYCARBONATE PREPOLYMER IN SOLID PHASE IN PRESENCE OF PHOSPHORUS-CONTAINING BASIC COMPOUND AS CATALYST IN ATMOSPHERE OF POOR SOLVENT GAS SELECTED FROM LINEAR ALIPHATIC HYDROCARBONS AND CYCLOALIPHATIC HYDROCARBONS | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-1069146-A1 | POLYCARBONATE AND OPTICAL MATERIAL | Idemitsu Petrochemical Co., Ltd. (JP) | 2001-01-17 | — | — | EP | disclosed |
| EP-1035150-A1 | COPOLYCARBONATE AND PROCESS FOR PRODUCING THE SAME | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2000-09-13 | — | — | EP | disclosed |
| EP-1033381-A1 | PROCESS FOR PRODUCING POLYCARBONATE | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2000-09-06 | — | — | EP | disclosed |
| US-5922826-A | TRANSESTERIFICATION IN PRESENCE OF A POLYMERIZATION CATALYST CONTAINING AN ORGANONITROGEN COMPOUND AND A QUATERNARY PHOSPHONIUM SALT TO PRODUCE POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 1999-07-13 | — | — | US | disclosed |
| EP-0908484-A1 | PROCESSES FOR THE PRODUCTION OF POLYCARBONATE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1999-04-14 | — | — | EP | disclosed |
| EP-0807657-A1 | PROCESS FOR PRODUCING POLYCARBONATE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1997-11-19 | — | — | EP | disclosed |
| EP-0097890-A2 | Process for producing an aromatic polyester | MITSUBISHI KASEI CORPORATION (JP) | 1984-01-11 | — | — | EP | disclosed |