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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G10 | O15496 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | BLVRB | P30043 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 7/20 | 0.39 |
| ▸ | RARG | P13631 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 SCHEMBL8467483 | 0.82 | NPC1 (0.45) | HTTNPSR1L3MBTL1NPC1MAPT | |
| Water SCHEMBL8324189 | 0.81 | — | — | |
| Water SCHEMBL8324243 | 0.76 | HTR3A (0.41) | HTTNPSR1NPC1MAPTRAB9A | |
| Water SCHEMBL8324144 | 0.65 | MAPT (0.34) | NPSR1L3MBTL1MAPTRAB9A | |
| Water SCHEMBL8466755 | 0.64 | NPC1 (0.42) | CA9NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL10049724 | 0.63 | POLB (0.60) | HTTMAPK1KDM6BABCC4KDM4A | |
| SCHEMBL8093489 | 0.63 | MAPT (0.61) | HTTMAPK1KDM6BABCC4KDM4A | |
| SCHEMBL6880385 | 0.63 | ALOX5 (0.61) | PLA2G10HTTMAPK1NPSR1L3MBTL1 | |
| SCHEMBL6137004 | 0.62 | PLA2G10 (0.51) | PLA2G10HTTKDM6BABCC4KDM4A | |
| SCHEMBL25301502 | 0.61 | HTT (0.64) | PLA2G10HTTMAPK1KDM6BABCC4 |
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 |