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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 SCHEMBL9447322 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL21178 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL6514209 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL21990728 | 0.88 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL23209660 | 0.88 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL25187157 | 0.88 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL22518805 | 0.88 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL21142954 | 0.88 | — | — | |
| Water SCHEMBL21625339 | 0.88 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL18889046 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2088126-B1 | ULTRAFINE ZINC OXIDE PARTICLE AND PROCESS FOR PRODUCTION THEREOF | SAKAI CHEMICAL INDUSTRY CO (JP) | 2015-11-18 | — | — | EP | disclosed |
| US-20100047590-A1 | Ultra-fine zinc oxide particle and method for producing thereof | SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-2088126-A1 | ULTRAFINE ZINC OXIDE PARTICLE AND PROCESS FOR PRODUCTION THEREOF | SAKAI CHEMICAL INDUSTRY CO., LTD., (JP) | 2009-08-12 | — | — | EP | disclosed |