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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | SHBG | P04278 | 4/20 | 0.48 |
| ▸ | SERPINA6 | P08185 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.48 |
| ▸ | G6PD | P11413 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL27824496 | 0.94 | CYP19A1 (0.53) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| SCHEMBL9512557 | 0.94 | CYP19A1 (0.55) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| SCHEMBL1287861 | 0.94 | CYP19A1 (0.55) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| SCHEMBL2186022 | 0.94 | CYP19A1 (0.55) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| SCHEMBL1287860 | 0.94 | CYP19A1 (0.55) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| SCHEMBL12857149 | 0.94 | CYP19A1 (0.55) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| Water SCHEMBL27940020 | 0.93 | CYP19A1 (0.54) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| Acetic Acid SCHEMBL31729653 | 0.91 | CYP19A1 (0.50) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| SCHEMBL29757161 | 0.82 | GRIN1 (0.43) | CYP19A1AKR1B10AKR1B1OR51E2LMNA | |
| SCHEMBL27741165 | 0.82 | CYP19A1 (0.49) | CYP19A1AKR1B10AKR1B1OR51E2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007103162-A2 | STRUCTURE BASED DRUG DESIGN OF STEROIDOGENESIS INHIBITORS | SAMARITAN PHARMACEUTICALS, INC. (US) | 2007-09-13 | — | — | WO | claimed |
| WO-2007103162-A2 | STRUCTURE BASED DRUG DESIGN OF STEROIDOGENESIS INHIBITORS | SAMARITAN PHARMACEUTICALS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |