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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 7/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | EEF2K | O00418 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2266931 | 0.74 | KCNH2 (0.35) | ALDH1A1TSHRGNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL7750994 | 0.72 | GNAI3 (0.37) | GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL9715248 | 0.72 | CCR5 (0.36) | ALDH1A1TSHRGNAI3GNAO1GNAI1 | |
| Iodide SCHEMBL11780477 | 0.72 | KCNH2 (0.34) | ALDH1A1TSHRGNAI3GNAO1GNAI1 | |
| Iodide SCHEMBL11780008 | 0.72 | KCNH2 (0.34) | ALDH1A1TSHRGNAI3GNAO1GNAI1 | |
| SCHEMBL15464256 | 0.72 | FUT7 (0.35) | ALDH1A1TSHRSIGMAR1EEF2K | |
| SCHEMBL9810141 | 0.72 | FUT7 (0.35) | ALDH1A1TSHRSIGMAR1EEF2K | |
| SCHEMBL11786226 | 0.72 | FUT7 (0.35) | ALDH1A1TSHRSIGMAR1EEF2K | |
| SCHEMBL25414330 | 0.63 | KDM4E (0.53) | ALDH1A1TSHRS1PR2S1PR1S1PR3 | |
| SCHEMBL25293833 | 0.63 | GNAI3 (0.55) | ALDH1A1TSHRGNAI3GNAO1GNAI1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8024943-B2 | Method of dividing glass into separate pieces with the aid of a cutting liquid and improved cutting liquid for said method | SCHOTT AG (DE) | 2011-09-27 | — | — | US | disclosed |
| US-20060266195-A1 | Method of dividing glass into separate pieces with the aid of a cutting liquid and improved cutting liquid for said method | SCHOTT AG (DE) | 2006-11-30 | — | — | US | disclosed |