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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 5/20 | 0.83 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | APAF1 | O14727 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | RAD52 | P43351 | 1/20 | 0.55 |
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 SCHEMBL3485118 | 1.00 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL7554272 | 1.00 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485899 | 1.00 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL635812 | 0.97 | DNM1 (0.88) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL2547114 | 0.97 | DNM1 (0.88) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL5296659 | 0.97 | DNM1 (0.88) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL634319 | 0.97 | DNM1 (0.88) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL5488093 | 0.97 | DNM1 (0.88) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3484939 | 0.97 | DNM1 (0.78) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL5309002 | 0.97 | DNM1 (0.88) | DNM1SLC22A1ALDH1A1TP53CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3135677-B1 | ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING SAME, AND USE FOR SAME | JX NIPPON OIL & ENERGY CORP (JP) | 2018-10-10 | — | — | EP | disclosed |
| US-9695186-B2 | Alicyclic diepoxy compound having bis-spironorbornane structure, method for producing the same, and use thereof | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2017-07-04 | — | — | US | disclosed |
| EP-3135677-A1 | ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING SAME, AND USE FOR SAME | JX Nippon Oil & Energy Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-20170044179-A1 | ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING THE SAME, AND USE THEREOF | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2017-02-16 | — | — | US | 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-7786022-B2 | Method for forming insulating film with low dielectric constant | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-08-31 | — | — | US | disclosed |
| US-20080290521-A1 | FILM-FORMING COMPOSITION, INSULATING FILM WITH LOW DIELECTRIC CONSTANT, FORMATION METHOD THEREOF, AND SEMICONDUCTOR DEVICE | SHIN ETSU CHEMICAL CO., LTD. | 2008-11-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170044179-A1 | ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING THE SAME, AND USE THEREOF | DHCR7, HSD17B7, CYP17A1 | DNM1 834/4885SLC22A1 1337/4885ALDH1A1 153/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.