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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 SCHEMBL11235367 | 0.87 | KMT2A (0.50) | HPGDTDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL18773872 | 0.85 | HPGD (0.64) | HPGDTDP1HDAC8MEN1KMT2A | |
| Water SCHEMBL11233763 | 0.83 | HPGD (0.57) | HPGDTDP1HDAC8MEN1KMT2A | |
| Water SCHEMBL11233105 | 0.81 | HSD17B2 (0.50) | HPGDTDP1HDAC8PARP1SMN1; SMN2 | |
| SCHEMBL11233748 | 0.77 | HPGD (0.50) | HPGDTDP1HDAC8MEN1KMT2A | |
| SCHEMBL14427603 | 0.76 | MEN1 (0.66) | HPGDHDAC8MEN1KMT2AALDH1A1 | |
| SCHEMBL3456171 | 0.74 | TSHR (0.75) | HPGDTDP1MEN1KMT2ATSHR | |
| SCHEMBL10794042 | 0.74 | ALDH1A1 (0.66) | HPGDMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL11913144 | 0.74 | HPGD (0.74) | HPGDTDP1HDAC8MEN1KMT2A | |
| Diethyltoluamide SCHEMBL29976 | 0.74 | HPGD (1.00) | HPGDTDP1HDAC8MEN1KMT2A |
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 |