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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.47 |
| ▸ | ATR | Q13535 | 6/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 5/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL2080378 | 0.95 | MAPK14 (0.51) | MAPK14MAPK13MAPK12MAPK11ATR | |
| SCHEMBL2078495 | 0.86 | MAPK14 (0.54) | MAPK14MAPK13MAPK12MAPK11ATR | |
| SCHEMBL2080269 | 0.84 | MAPK14 (0.60) | MAPK14MAPK13MAPK12MAPK11ATR | |
| SCHEMBL4246296 | 0.82 | MAPK14 (0.44) | MAPK14MAPK13MAPK12MAPK11CDK1 | |
| SCHEMBL2079289 | 0.81 | MAPK14 (0.58) | MAPK14MAPK13MAPK12MAPK11ATR | |
| SCHEMBL2079128 | 0.80 | MAPK14 (0.56) | MAPK14MAPK13MAPK12MAPK11ATR | |
| SCHEMBL2079373 | 0.79 | MAPK14 (0.68) | MAPK14MAPK13MAPK12MAPK11ATR | |
| SCHEMBL2081225 | 0.78 | MAPK14 (0.72) | MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL4071382 | 0.77 | MAPK14 (0.69) | MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL2080180 | 0.77 | ATR (0.56) | MAPK14ATRATRIP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049537-A1 | 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS | Laboratorios Almirall, S.A. (ES) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008017461-A1 | 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2008-02-14 | — | — | WO | disclosed |