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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 6/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29818354 | 0.96 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1TSHRCA1 | |
| Fluoride Ion SCHEMBL3907946 | 0.92 | ALDH1A1 (0.39) | TDP1CYP3A4ALDH1A1TSHRCA1 | |
| Hydrochloric Acid SCHEMBL727707 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1TSHRCA1 | |
| Iodide SCHEMBL7676589 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1TSHRCA1 | |
| Bromide SCHEMBL624578 | 0.92 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1TSHRCA1 | |
| SCHEMBL28760744 | 0.83 | CYP3A4 (0.33) | TDP1CYP3A4ALDH1A1TSHR | |
| SCHEMBL28760731 | 0.83 | CYP3A4 (0.33) | TDP1CYP3A4ALDH1A1TSHR | |
| Iodide SCHEMBL5142121 | 0.65 | TSHR (0.37) | TDP1CYP3A4ALDH1A1TSHRCA1 | |
| Water SCHEMBL2808996 | 0.64 | — | — | |
| Phenol SCHEMBL6366351 | 0.61 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1TSHRCA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10634094-B2 | Methods, systems and apparatuses for combustible lead for high triple point propellants | THE BOEING COMPANY (US) | 2020-04-28 | — | — | US | claimed |
| US-20170342943-A1 | METHODS, SYSTEMS AND APPARATUSES FOR COMBUSTIBLE LEAD FOR HIGH TRIPLE POINT PROPELLANTS | THE BOEING COMPANY | 2017-11-30 | — | — | US | claimed |
| CN-113756989-B | Gas/liquid pintle injector with swirl-assisted atomization and adjustable swirl degree | 中国科学院力学研究所 | 2022-07-05 | — | — | CN | disclosed |
| CN-113756989-A | Gas/liquid pintle injector with swirl-assisted atomization and adjustable swirl degree | 中国科学院力学研究所 | 2021-12-07 | — | — | CN | disclosed |
| US-10634094-B2 | Methods, systems and apparatuses for combustible lead for high triple point propellants | THE BOEING COMPANY (US) | 2020-04-28 | — | — | US | disclosed |
| US-20170342943-A1 | METHODS, SYSTEMS AND APPARATUSES FOR COMBUSTIBLE LEAD FOR HIGH TRIPLE POINT PROPELLANTS | THE BOEING COMPANY | 2017-11-30 | — | — | US | disclosed |
| CN-106134397-B | A kind of torch ignitor of nitrous oxide/hydrocarbon fuel rocket engine | 上海空间推进研究所 | 2013-12-18 | — | — | CN | disclosed |
| US-6779335-B2 | Burning nitrous oxide and a fuel | NORTHROP GRUMMAN SYSTEMS CORPORATION | 2004-08-24 | — | — | US | disclosed |
| US-6770756-B1 | Process for the manufacture of polyguluronic acids | SEIKO EPSON CORPORATION (JP) | 2004-08-03 | — | — | US | disclosed |
| EP-0987272-B1 | Process for the manufacturing of polyguluronic acids | SEIKO EPSON CORP (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-20020092290-A1 | Burning nitrous oxide and a fuel | NORTHROP GRUMMAN SYSTEMS CORPORATION | 2002-07-18 | — | — | US | disclosed |
| EP-0987272-A1 | Process for the manufacturing of polyguluronic acids | SEIKO EPSON CORPORATION (JP) | 2000-03-22 | — | — | EP | disclosed |