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 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 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 SCHEMBL11229473 | 0.81 | MLYCD (0.38) | MLYCDHDAC1SMN1; SMN2POLBHDAC3 | |
| Water SCHEMBL11237464 | 0.76 | ALDH1A1 (0.48) | MLYCDHDAC1SMN1; SMN2POLBCHRNB2 | |
| SCHEMBL11229471 | 0.74 | MLYCD (0.36) | MLYCDSMN1; SMN2POLBGAACHRNB2 | |
| Water SCHEMBL11239925 | 0.71 | SMN1; SMN2 (0.50) | SMN1; SMN2POLBRAB9AMAPK1NPC1 | |
| Water SCHEMBL11223675 | 0.70 | EGFR (0.37) | MLYCDPOLBGAARAB9AEGFR | |
| Water SCHEMBL11223681 | 0.69 | KMT2A (0.39) | MLYCDSMN1; SMN2POLBRAB9AMAPK1 | |
| SCHEMBL17933668 | 0.69 | HDAC3 (0.46) | MLYCDHDAC1SMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL14163317 | 0.68 | MLYCD (0.41) | MLYCDHDAC1MAPT | |
| SCHEMBL19963121 | 0.68 | MLYCD (0.41) | MLYCDHDAC1SMN1; SMN2POLBHDAC3 | |
| Water SCHEMBL11236248 | 0.67 | NOTUM (0.44) | MLYCDSMN1; SMN2GAARAB9AMAPT |
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 |