Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
The experimentally established mechanism targets of Metasulfurous Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Lactic Acid SCHEMBL2829311 | 0.83 | TP53 (0.65) | TP53 | |
| Lactic Acid SCHEMBL27567498 | 0.83 | TP53 (0.65) | TP53 | |
| Metasulfurous Acid SCHEMBL27846732 | 0.80 | MEN1 (0.39) | — | |
| Metasulfurous Acid SCHEMBL27788310 | 0.80 | MEN1 (0.44) | — | |
| Lactic Acid SCHEMBL28689966 | 0.78 | TP53 (0.58) | TP53 | |
| Lactic Acid SCHEMBL14976631 | 0.78 | TP53 (0.58) | TP53 | |
| Lactic Acid SCHEMBL10590230 | 0.78 | TP53 (0.65) | TP53 | |
| Lactic Acid SCHEMBL18259576 | 0.78 | TP53 (0.65) | TP53 | |
| Lactic Acid SCHEMBL11516852 | 0.78 | TP53 (0.65) | TP53 | |
| Lactic Acid SCHEMBL3446643 | 0.78 | TP53 (0.65) | TP53 |
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-20110111060-A1 | COMPOSITIONS, FORMULATIONS, AND METHODS FOR PREVENTING AND/OR TREATING PHYSICAL EFFECTS OF ALCOHOL CONSUMPTION | CHADEAYNE ANDREW R | 2011-05-12 | — | — | US | disclosed |
| WO-2009158387-A2 | COMPOSITIONS, FORMULATIONS, AND METHODS FOR PREVENTING AND/OR TREATING PHYSICAL EFFECTS OF ALCOHOL CONSUMPTION | CHADEAYNE ANDREW R (US) | 2009-12-30 | — | — | WO | disclosed |