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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | LIPE | Q05469 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Diloxanide SCHEMBL330136 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KMT2ACYP3A4HIF1AMLYCD | |
| SCHEMBL29287654 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KMT2ACYP3A4HIF1AMLYCD | |
| Water SCHEMBL11237487 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KMT2ACYP3A4HIF1AMLYCD | |
| Water SCHEMBL11239925 | 0.76 | SMN1; SMN2 (0.50) | ALDH1A1KMT2ARAB9ASMN1; SMN2POLB | |
| Water SCHEMBL11229478 | 0.76 | MLYCD (0.38) | MLYCDRAB9AHDAC1SMN1; SMN2POLB | |
| SCHEMBL3073313 | 0.76 | KMT2A (0.49) | ALDH1A1KMT2ACYP3A4HIF1AMLYCD | |
| SCHEMBL933209 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KMT2ACYP3A4HIF1AMLYCD | |
| Water SCHEMBL11236248 | 0.72 | NOTUM (0.44) | ALDH1A1KMT2ACYP3A4MLYCDRAB9A | |
| Water SCHEMBL11229090 | 0.71 | EGFR (0.38) | ALDH1A1KMT2AMLYCDRAB9APOLB | |
| SCHEMBL20613 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KMT2ACYP3A4HIF1AMLYCD |
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 |