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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | GMNN | O75496 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.44 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.44 |
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 SCHEMBL8778591 | 1.00 | LMNA (0.54) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8955625 | 0.99 | LMNA (0.56) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8778530 | 0.99 | LMNA (0.56) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8955617 | 0.99 | LMNA (0.56) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8955815 | 0.99 | LMNA (0.56) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8955808 | 0.99 | LMNA (0.56) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8778519 | 0.99 | LMNA (0.56) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8955569 | 0.92 | P2RY10 (0.51) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8956000 | 0.92 | MAPK1 (0.49) | LMNAMAPK1MAPTCYP1A2GMNN | |
| SCHEMBL8955988 | 0.92 | MAPK1 (0.49) | LMNAMAPK1MAPTCYP1A2GMNN |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0574355-B1 | Phosphinyloxy propanaminium inner salt derivatives | CIBA GEIGY AG (CH) | 1997-08-13 | — | — | EP | claimed |
| US-5516767-A | PRODRUG AS HYPOGLYCEMIC AGENT | SANDOZ LTD. (CH) | 1996-05-14 | — | — | US | claimed |
| EP-0574355-A1 | Phosphinyloxy propanaminium inner salt derivatives | SANDOZ LTD. (CH) | 1993-12-15 | — | — | EP | claimed |
| EP-0574355-B1 | Phosphinyloxy propanaminium inner salt derivatives | CIBA GEIGY AG (CH) | 1997-08-13 | — | — | EP | disclosed |
| US-5516767-A | PRODRUG AS HYPOGLYCEMIC AGENT | SANDOZ LTD. (CH) | 1996-05-14 | — | — | US | disclosed |
| US-5412137-A | Hypoglycemic agents | SANDOZ LTD. (CH) | 1995-05-02 | — | — | US | disclosed |