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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21291697 | 0.98 | ALDH1A1 (0.39) | ALDH1A1GAAPOLBKMT2ANT5E | |
| Bromide SCHEMBL16341412 | 0.96 | ALDH1A1 (0.41) | ALDH1A1GAAPOLBKMT2ANT5E | |
| SCHEMBL28481622 | 0.88 | ALDH1A1 (0.37) | ALDH1A1GAAPOLBKMT2ANT5E | |
| SCHEMBL18155017 | 0.82 | ALDH1A1 (0.38) | ALDH1A1GAAPOLBKMT2A | |
| Hydrochloric Acid SCHEMBL28926582 | 0.81 | ALDH1A1 (0.36) | ALDH1A1GAAPOLBKMT2A | |
| Bromide SCHEMBL25409198 | 0.80 | ALDH1A1 (0.40) | ALDH1A1GAAPOLBKMT2A | |
| Bromide SCHEMBL28713514 | 0.77 | ALDH1A1 (0.38) | ALDH1A1GAAPOLBKMT2A | |
| SCHEMBL28804133 | 0.74 | ALDH1A1 (0.36) | ALDH1A1GAAPOLBNT5E | |
| SCHEMBL30479668 | 0.74 | ALDH1A1 (0.40) | ALDH1A1GAAPOLBKMT2ANT5E | |
| Malonic Acid SCHEMBL29188070 | 0.74 | ALDH1A1 (0.43) | ALDH1A1GAAPOLBKMT2ANT5E |
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 |
|---|---|---|---|---|---|---|---|
| CN-115196663-B | Preparation method of controllable nano calcium carbonate | 邹平县晟昶钙业有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-115196663-A | Preparation method of controllable nano calcium carbonate | 中国科学院兰州化学物理研究所 | 2022-10-18 | — | — | CN | disclosed |