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 | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 5/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 SCHEMBL723735 | 0.98 | CHRNB2 (0.59) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| Water SCHEMBL8939227 | 0.98 | CHRNB2 (0.59) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| SCHEMBL3681307 | 0.98 | CHRNA7 (0.60) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| Water SCHEMBL8939226 | 0.96 | CHRNB2 (0.58) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| SCHEMBL10256901 | 0.96 | CHRNB2 (0.61) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| Hydrochloric Acid SCHEMBL2458828 | 0.96 | CHRNA7 (0.58) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| Iodide SCHEMBL3691022 | 0.96 | CHRNA7 (0.63) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| SCHEMBL724930 | 0.96 | CHRNB2 (0.61) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL2450495 | 0.94 | CHRNB2 (0.59) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G | |
| Hydrochloric Acid SCHEMBL723900 | 0.94 | CHRNB2 (0.59) | CHRNA7CHRNB2CHRNA4APOBEC3AAPOBEC3G |
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-20100168490-A1 | METHOD FOR PREPARATION OF AN ALUMINOSILICATE WITH FERRIERITE STRUCTURE FROM GELS CONTAINING TETRAMETHYLAMMONIUM AND BENZYLMETHYLPYRROLIDINE, AND USES THEREOF | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2010-07-01 | — | — | US | claimed |
| US-20100168490-A1 | METHOD FOR PREPARATION OF AN ALUMINOSILICATE WITH FERRIERITE STRUCTURE FROM GELS CONTAINING TETRAMETHYLAMMONIUM AND BENZYLMETHYLPYRROLIDINE, AND USES THEREOF | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2010-07-01 | — | — | US | disclosed |
| EP-2133309-A1 | METHOD FOR PREPARATION OF AN ALUMINOSILICATE WITH FERRIERITE STRUCTURE FROM GELS CONTAINING TETRAMETHYL AMMONIUM AND BENZYLMETHYLPYRROLIDINE, AND USES THEREOF | Consejo Superior De Investigaciones Científicas (ES) | 2009-12-16 | — | — | EP | disclosed |