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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GPX4 | P36969 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL11233729 | 0.87 | HPGD (0.57) | KMT2AHPGDTDP1ALDH1A1MAPT | |
| Water SCHEMBL11235372 | 0.85 | KMT2A (0.50) | KMT2AHPGDTDP1S1PR1ALDH1A1 | |
| SCHEMBL11235371 | 0.79 | ALDH1A1 (0.47) | KMT2AHPGDTDP1S1PR1ALDH1A1 | |
| Water SCHEMBL11233105 | 0.77 | HSD17B2 (0.50) | HPGDTDP1TP53HDAC6 | |
| SCHEMBL10456889 | 0.77 | HPGD (0.71) | KMT2AHPGDTDP1S1PR1ALDH1A1 | |
| SCHEMBL2228900 | 0.76 | HPGD (0.59) | KMT2AHPGDTDP1S1PR1ALDH1A1 | |
| SCHEMBL10441250 | 0.74 | HPGD (0.58) | KMT2AHPGDTDP1S1PR1ALDH1A1 | |
| SCHEMBL2225313 | 0.74 | HPGD (0.77) | KMT2AHPGDTDP1S1PR1ALDH1A1 | |
| SCHEMBL9001628 | 0.73 | ADRA2C (0.71) | KMT2AHPGDS1PR1ALDH1A1MAPT | |
| SCHEMBL6323267 | 0.73 | ALDH1A1 (0.59) | KMT2AHPGDTDP1ALDH1A1MAPT |
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 |