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 | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28630199 | 0.85 | MLYCD (0.65) | MLYCDHSD17B10KDM4EHTTKMT2A | |
| SCHEMBL5935115 | 0.84 | MLYCD (0.67) | MLYCDHSD17B10KDM4EHTTKMT2A | |
| Water SCHEMBL11233238 | 0.82 | MLYCD (0.62) | MLYCDHSD17B10KDM4EHTTKMT2A | |
| Water SCHEMBL11229279 | 0.81 | KMT2A (0.57) | KDM4EHTTKMT2ANPC1RAB9A | |
| SCHEMBL22983342 | 0.80 | ALDH1A1 (0.65) | MLYCDHSD17B10KDM4EHTTKMT2A | |
| SCHEMBL11233224 | 0.76 | MLYCD (0.55) | MLYCDHSD17B10KDM4EHTTKMT2A | |
| SCHEMBL161322 | 0.76 | ALDH1A1 (0.59) | MLYCDHSD17B10KDM4EHTTKMT2A | |
| SCHEMBL31699264 | 0.76 | ALDH1A1 (0.59) | MLYCDHSD17B10KDM4EHTTKMT2A | |
| SCHEMBL10840695 | 0.75 | RAB9A (0.66) | MLYCDHTTKMT2ANPC1RAB9A | |
| SCHEMBL6237453 | 0.75 | KDM4E (0.68) | MLYCDHSD17B10KDM4EHTTKMT2A |
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 |