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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 SCHEMBL11221073 | 0.85 | MCHR1 (0.37) | MLYCDKMT2ATERTGAALMNA | |
| Water SCHEMBL11229090 | 0.83 | EGFR (0.38) | EGFRMLYCDKMT2AGAAHPGD | |
| Water SCHEMBL11227127 | 0.83 | FOLH1 (0.41) | MLYCDKMT2AGAAHPGDRAB9A | |
| SCHEMBL14174853 | 0.82 | ALDH1A1 (0.44) | EGFRMLYCDGSRKMT2AGAA | |
| SCHEMBL3156597 | 0.81 | PHLPP2 (0.46) | EGFRMLYCDGSRKMT2ATERT | |
| SCHEMBL11217748 | 0.81 | EGFR (0.38) | EGFRMLYCDGSRKMT2ATERT | |
| Water SCHEMBL11236802 | 0.80 | FOLH1 (0.37) | EGFRMLYCDKMT2AGAAHPGD | |
| Water SCHEMBL11228747 | 0.80 | FOLH1 (0.45) | MLYCDKMT2AGAAHPGDRAB9A | |
| Water SCHEMBL11223678 | 0.79 | EGFR (0.37) | EGFRMLYCDGSRKMT2ATERT | |
| Water SCHEMBL11223681 | 0.79 | KMT2A (0.39) | MLYCDKMT2AHPGDRAB9AALDH1A1 |
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 |