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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.31 |
| ▸ | GRM8 | O00222 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL27584562 | 0.70 | CFTR (0.44) | CYP19A1CYP17A1GRM8GRM4SLC6A2 | |
| SCHEMBL9212503 | 0.68 | CYP3A4 (0.39) | CYP19A1SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL4758242 | 0.65 | SLC6A2 (0.39) | CYP19A1CYP17A1GRM8GRM4SLC6A2 | |
| SCHEMBL27823039 | 0.64 | SLC6A2 (0.35) | CYP19A1GRM8GRM4SLC6A2SLC6A4 | |
| Sulfuric Acid SCHEMBL11540571 | 0.64 | SLC6A3 (0.75) | HPGDCYP19A1SLC6A2SLC6A4SLC6A3 | |
| Sulfuric Acid SCHEMBL11540575 | 0.64 | SLC6A3 (0.75) | HPGDCYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28264541 | 0.64 | DPP4 (0.40) | CYP19A1GRM8GRM4SLC6A2SLC6A4 | |
| Dalfampridine SCHEMBL3245918 | 0.64 | TSHR (0.68) | HPGDCYP19A1CYP17A1KDM4EHSD17B10 | |
| SCHEMBL7829339 | 0.63 | HSD17B10 (0.40) | HPGDCYP19A1CYP17A1GRM8GRM4 | |
| SCHEMBL27445801 | 0.63 | SLC6A2 (0.38) | HPGDCYP19A1CYP17A1SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105669668-A | Pyridoindazole or benzopyridoindazole derivatives and synthesis method thereof | 上海大学 | 2016-06-15 | — | — | CN | disclosed |