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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11129083 | 0.83 | CES2 (0.53) | CES2CES1HTTSMN1; SMN2DAO | |
| SCHEMBL23610329 | 0.83 | LMNA (0.52) | CES2CES1HTTSMN1; SMN2DAO | |
| Water SCHEMBL11223711 | 0.81 | HTT (0.47) | CES2CES1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8888712 | 0.79 | HTT (0.48) | CES2CES1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL11223704 | 0.75 | SMN1; SMN2 (0.45) | CES2CES1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5644421 | 0.75 | SMN1; SMN2 (0.57) | HTTSMN1; SMN2ALDH1A1NPSR1KMT2A | |
| SCHEMBL827527 | 0.74 | CES2 (0.64) | CES2CES1SMN1; SMN2ALDH1A1NPSR1 | |
| Water SCHEMBL11229279 | 0.73 | KMT2A (0.57) | CES2CES1HTTKMT2ANPC1 | |
| SCHEMBL14507080 | 0.72 | NPC1 (0.58) | CES2CES1SMN1; SMN2ALDH1A1DAO | |
| SCHEMBL3278688 | 0.72 | CES2 (0.61) | CES2CES1SMN1; SMN2ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4361579-A | TREATMENT OF IMMUNE DISEASES WITH ORGANOGERMANIUM POLYMERS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1982-11-30 | — | — | US | disclosed |
| EP-0025965-A2 | Organogermanium compounds, a method for producing them and pharmaceutical compositions comprising them | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1981-04-01 | — | — | EP | disclosed |