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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.87 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.81 |
| ▸ | TP53 | P04637 | 1/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 1/20 | 0.81 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.81 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.81 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.80 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.72 |
| ▸ | APAF1 | O14727 | 1/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | RAD52 | P43351 | 1/20 | 0.60 |
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 SCHEMBL7553406 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485233 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485436 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485609 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrahexylammonium SCHEMBL5469443 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3486043 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL875909 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485321 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3485231 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Water SCHEMBL3484873 | 1.00 | SLC22A1 (0.87) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9290656-B2 | Polymerizable composition for polythiourethane optical material | MITSUI CHEMICALS, INC. (JP) | 2016-03-22 | — | — | US | disclosed |
| WO-2014205568-A1 | PROCESSES FOR PREPARING AZIDATED COPOLYMERS | LANXESS INC. (CA) | 2014-12-31 | — | — | WO | disclosed |
| EP-2341091-B1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2013-12-04 | — | — | EP | disclosed |
| EP-1988109-B1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2013-05-29 | — | — | EP | disclosed |
| US-8434866-B2 | Polymerizable composition for optical material, optical material, and method for preparing the optical material | MITSUI CHEMICALS, INC. (JP) | 2013-05-07 | — | — | US | disclosed |
| WO-2012038413-A1 | PROCESS FOR REDUCING THE HALOGEN CONTENT OF A HYDROCARBON PRODUCT STREAM BY MIXING WITH AN AQEOUS CAUSTIC SOLUTION IN THE PRESENCE OF A PHASE TRANSFER CATALYST | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2012-03-29 | — | — | WO | disclosed |
| US-20110190466-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-08-04 | — | — | US | disclosed |
| EP-2341091-A1 | POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD | Mitsui Chemicals, Inc. (JP) | 2011-07-06 | — | — | EP | disclosed |
| US-20100283133-A1 | FILM-FORMING COMPOSITION, INSULATING FILM WITH LOW DIELECTRIC CONSTANT, FORMATION METHOD THEREOF, AND SEMICONDUCTOR DEVICE | HAMADA YOSHITAKA | 2010-11-11 | — | — | US | disclosed |
| US-20100075154-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2010-03-25 | — | — | US | disclosed |
| EP-1988109-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |