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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 2/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 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 SCHEMBL8324144 | 0.81 | MAPT (0.34) | ADORA3MAPTRAB9ACTDSP1L3MBTL1 | |
| Water SCHEMBL8322319 | 0.78 | MAPT (0.34) | ADORA3MAPTRAB9ACTDSP1L3MBTL1 | |
| Water SCHEMBL8319156 | 0.76 | MAPT (0.31) | MAPTRAB9ACTDSP1L3MBTL1KDM4E | |
| SCHEMBL8466131 | 0.75 | MAPT (0.42) | ADORA3MAPTRAB9ACTDSP1L3MBTL1 | |
| Water SCHEMBL8319362 | 0.75 | ACP1 (0.37) | PTGS1PTGS2 | |
| Water SCHEMBL8326580 | 0.74 | MAPT (0.38) | ADORA3MAPTRAB9ACTDSP1L3MBTL1 | |
| Water SCHEMBL8462183 | 0.74 | SMN1; SMN2 (0.36) | TNKSTNKS2 | |
| SCHEMBL8324694 | 0.73 | MAPT (0.40) | ADORA3MAPTRAB9ACTDSP1L3MBTL1 | |
| Water SCHEMBL8468351 | 0.73 | NPY5R (0.44) | MAPTL3MBTL1KDM4ENPSR1 | |
| Water SCHEMBL8323884 | 0.72 | MAPT (0.36) | ADORA3MAPTRAB9ACTDSP1L3MBTL1 |
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 |