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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.68 |
| ▸ | NAMPT | P43490 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 10/20 | 0.56 |
| ▸ | NPC1 | O15118 | 9/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.56 |
| ▸ | RELA | Q04206 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17664660 | 0.85 | PKM (0.74) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1389175 | 0.82 | PKM (0.74) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL17660207 | 0.80 | PKM (0.67) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL19799124 | 0.73 | PKM (0.57) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7983727 | 0.72 | GAA (0.67) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6590766 | 0.72 | F10 (0.73) | — | |
| SCHEMBL4534169 | 0.72 | PKM (0.59) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL13270385 | 0.72 | NAMPT (1.00) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL2515535 | 0.72 | NAMPT (0.59) | PKMNAMPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27310635 | 0.72 | PKM (0.63) | PKMNAMPTRAB9ANPC1SMN1; SMN2 |
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 |