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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | KCNMA1 | Q12791 | 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 | |
|---|---|---|---|---|
| SCHEMBL5517512 | 0.80 | KMT2A (0.57) | HTTLMNANPC1MEN1KMT2A | |
| SCHEMBL5982614 | 0.80 | PDK1 (0.49) | LMNAMEN1KMT2AHPGDCYP1A2 | |
| Water SCHEMBL27650613 | 0.79 | LMNA (0.42) | HTTGAALMNANPC1TP53 | |
| SCHEMBL5517150 | 0.78 | GAA (0.42) | HTTGAALMNANPC1TP53 | |
| SCHEMBL14546116 | 0.78 | ALDH1A1 (0.43) | HTTGAALMNANPC1TP53 | |
| SCHEMBL5518453 | 0.77 | ALDH1A1 (0.61) | HTTGAALMNANPC1TP53 | |
| SCHEMBL14523918 | 0.75 | LMNA (0.45) | HTTGAALMNANPC1TP53 | |
| SCHEMBL5523653 | 0.74 | ALDH1A1 (0.43) | HTTGAALMNANPC1TP53 | |
| SCHEMBL5523657 | 0.74 | ALDH1A1 (0.43) | HTTGAALMNANPC1TP53 | |
| SCHEMBL5517427 | 0.73 | GAA (0.44) | HTTGAALMNANPC1TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1791569-A | Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof | BAYER CROPSCIENCE AG (DE) | 2006-06-21 | — | — | CN | disclosed |