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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.32 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 3/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 SCHEMBL11229090 | 0.90 | EGFR (0.38) | FOLH1EGFRERBB2ALDH1A1LMNA | |
| Water SCHEMBL11228747 | 0.84 | FOLH1 (0.45) | FOLH1ALDH1A1LMNAPOLBKDM4E | |
| SCHEMBL9760007 | 0.81 | ALDH1A1 (0.50) | EGFRERBB2ALDH1A1LMNAPOLB | |
| Water SCHEMBL11236810 | 0.81 | FOLH1 (0.37) | FOLH1EGFRERBB2ALDH1A1LMNA | |
| Water SCHEMBL11232674 | 0.80 | TSHR (0.40) | FOLH1ALDH1A1LMNAMLYCDPGR | |
| Water SCHEMBL11223675 | 0.80 | EGFR (0.37) | FOLH1EGFRALDH1A1LMNAPOLB | |
| Water SCHEMBL11227127 | 0.80 | FOLH1 (0.41) | FOLH1ALDH1A1LMNAPOLBKDM4E | |
| Water SCHEMBL11230867 | 0.79 | ALOX5 (0.41) | ALDH1A1LMNAPGRSMN1; SMN2CYP2D6 | |
| SCHEMBL29115600 | 0.77 | KDM4E (0.39) | FOLH1EGFRERBB2ALDH1A1LMNA | |
| Water SCHEMBL11221073 | 0.76 | MCHR1 (0.37) | LMNAMLYCDGAAKMT2ATSHR |
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 |