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 | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.38 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 8/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
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 SCHEMBL21837351 | 1.00 | BBOX1 (0.47) | BBOX1CYP1A2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL21837354 | 0.98 | BBOX1 (0.48) | BBOX1CYP1A2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7938662 | 0.98 | BBOX1 (0.48) | BBOX1CYP1A2CHRNB4CHRNA3CHRNA7 | |
| Water SCHEMBL9249586 | 0.92 | APAF1 (0.45) | BBOX1SPHK1SPHK2SLC22A1DNM1 | |
| Water SCHEMBL9241558 | 0.92 | APAF1 (0.45) | BBOX1SPHK1SPHK2SLC22A1DNM1 | |
| Water SCHEMBL9248703 | 0.92 | APAF1 (0.45) | BBOX1SPHK1SPHK2SLC22A1DNM1 | |
| Water SCHEMBL9245748 | 0.92 | APAF1 (0.45) | BBOX1SPHK1SPHK2SLC22A1DNM1 | |
| Water SCHEMBL9243265 | 0.92 | APAF1 (0.45) | BBOX1SPHK1SPHK2SLC22A1DNM1 | |
| Water SCHEMBL9248592 | 0.92 | APAF1 (0.45) | BBOX1SPHK1SPHK2SLC22A1DNM1 | |
| SCHEMBL1356921 | 0.91 | BBOX1 (0.47) | BBOX1CYP1A2SPHK1SPHK2SLC22A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10875780-B2 | Synthesis of nanocrystalline beta zeolite, synthesis method and use thereof in catalytic applications | UNIVERSITAT POLITECNICA DE VALENCIA (ES) | 2020-12-29 | — | — | US | disclosed |
| US-20200216326-A1 | Synthesis of Nanocrystalline Beta Zeolite, Synthesis Method and use Thereof in Catalytic Applications | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2020-07-09 | — | — | US | disclosed |
| EP-3636595-A1 | SYNTHESIS OF NANOCRYSTALLINE BETA ZEOLITE, SYNTHESIS METHOD AND USE THEREOF IN CATALYTIC APPLICATIONS | Universitat Politècnica de València (ES) | 2020-04-15 | — | — | EP | disclosed |