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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP4Z1 | Q86W10 | 2/20 | 0.38 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.38 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 SCHEMBL11229515 | 0.91 | SMN1; SMN2 (0.49) | ALOX5SMN1; SMN2CYP1A2CYP4F2CYP4A11 | |
| Water SCHEMBL11232674 | 0.84 | TSHR (0.40) | LMNAPGRALDH1A1TSHRHSD17B10 | |
| Water SCHEMBL11223284 | 0.84 | MGAM (0.42) | SMN1; SMN2L3MBTL1LMNACYP4Z1ALDH1A1 | |
| Water SCHEMBL11230874 | 0.83 | ALOX5 (0.41) | ALOX5SMN1; SMN2CYP1A2CYP4F2CYP4A11 | |
| Water SCHEMBL11228747 | 0.82 | FOLH1 (0.45) | SMN1; SMN2LMNAALDH1A1CYP2D6TSHR | |
| Water SCHEMBL11236802 | 0.79 | FOLH1 (0.37) | ALOX5SMN1; SMN2LMNAPGRALDH1A1 | |
| SCHEMBL11230871 | 0.78 | CYP4F2 (0.39) | ALOX5SMN1; SMN2CYP1A2CYP4F2CYP4A11 | |
| Water SCHEMBL11227685 | 0.75 | SMN1; SMN2 (0.58) | ALOX5SMN1; SMN2CYP1A2CYP4F2CYP4A11 | |
| Water SCHEMBL11227127 | 0.75 | FOLH1 (0.41) | LMNAALDH1A1TDP1 | |
| Water SCHEMBL11229090 | 0.75 | EGFR (0.38) | LMNAALDH1A1 |
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 4 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 | claimed |
| EP-0025965-A2 | Organogermanium compounds, a method for producing them and pharmaceutical compositions comprising them | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1981-04-01 | — | — | EP | claimed |
| 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 |