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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL8323884 | 0.86 | MAPT (0.36) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| Water SCHEMBL8462481 | 0.85 | MAPT (0.36) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| Water SCHEMBL8466755 | 0.84 | NPC1 (0.42) | RAB9ASYKADORA3 | |
| Water SCHEMBL8468552 | 0.74 | ADORA3 (0.37) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| Water SCHEMBL8324144 | 0.73 | MAPT (0.34) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| Water SCHEMBL8322319 | 0.72 | MAPT (0.34) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| SCHEMBL8522571 | 0.71 | ADORA3 (0.47) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| SCHEMBL8462289 | 0.71 | MAPT (0.47) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| SCHEMBL8321791 | 0.71 | L3MBTL1 (0.39) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| SCHEMBL8320581 | 0.71 | NPSR1 (0.48) | MAPTRAB9ACTDSP1L3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888347-A1 | PHARMACEUTICALLY USEFUL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-01-07 | — | — | EP | claimed |
| WO-1997034893-A1 | PHARMACEUTICALLY USEFUL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-09-25 | — | — | WO | claimed |