Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.35 |
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 3/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.36 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3787484 | 0.97 | EPHX2 (0.39) | EPHX2RIPK1HSD17B13ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL3792564 | 0.96 | EPHX2 (0.39) | EPHX2RIPK1HSD17B13ROCK2ROCK1 | |
| SCHEMBL13257878 | 0.86 | EPHX2 (0.41) | EPHX2RIPK1HSD17B13ROCK2ROCK1 | |
| SCHEMBL3790116 | 0.86 | EPHX2 (0.47) | EPHX2RIPK1HSD17B13ROCK2ROCK1 | |
| SCHEMBL3792366 | 0.85 | EPHX2 (0.49) | EPHX2ROCK2ROCK1 | |
| SCHEMBL3788832 | 0.83 | EPHX2 (0.40) | EPHX2RIPK1DDR1ROCK2ROCK1 | |
| SCHEMBL3790479 | 0.82 | GPR139 (0.41) | EPHX2RIPK1DDR1ROCK2ROCK1 | |
| SCHEMBL3798917 | 0.82 | EPHX2 (0.39) | EPHX2RIPK1DDR1ROCK2ROCK1 | |
| SCHEMBL3810168 | 0.78 | CD274 (0.42) | EPHX2DDR1EGLN1SCN9A | |
| SCHEMBL3788935 | 0.75 | EPHX2 (0.47) | EPHX2RIPK1HSD17B13ROCK2ROCK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010096722-A1 | 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-26 | — | — | WO | disclosed |