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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | GPX4 | P36969 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 SCHEMBL11236069 | 0.86 | SMN1; SMN2 (0.42) | SMN1; SMN2RAB9AGAAMEN1KMT2A | |
| Water SCHEMBL11240458 | 0.84 | SMN1; SMN2 (0.45) | SMN1; SMN2RAB9ANPC1PAX8JAK2 | |
| SCHEMBL11240455 | 0.79 | SMN1; SMN2 (0.40) | SMN1; SMN2RAB9ANPC1PAX8JAK2 | |
| Water SCHEMBL11223284 | 0.79 | MGAM (0.42) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| SCHEMBL6074707 | 0.76 | ADRB2 (0.41) | SMN1; SMN2RAB9ANPC1PAX8JAK2 | |
| Water SCHEMBL11227685 | 0.73 | SMN1; SMN2 (0.58) | SMN1; SMN2MEN1KMT2ACYP1A2MLYCD | |
| SCHEMBL31318741 | 0.72 | SMN1; SMN2 (0.54) | SMN1; SMN2RAB9ANPC1GAAMEN1 | |
| SCHEMBL6860586 | 0.72 | SMN1; SMN2 (0.54) | SMN1; SMN2GAAMEN1KMT2ACYP1A2 | |
| SCHEMBL21821644 | 0.71 | SMN1; SMN2 (0.73) | SMN1; SMN2RAB9ANPC1PAX8JAK2 | |
| SCHEMBL1773775 | 0.70 | SMN1; SMN2 (0.51) | SMN1; SMN2RAB9ANPC1GAACYP2C9 |
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 |