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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.47 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.47 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 14/20 | 0.67 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1507789 | 0.93 | CYP19A1 (0.78) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| Hydrochloric Acid SCHEMBL9517892 | 0.92 | CYP19A1 (0.76) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL1507754 | 0.82 | CYP19A1 (0.88) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL1507825 | 0.82 | CYP19A1 (1.00) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL1507987 | 0.79 | CYP19A1 (0.85) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL1507734 | 0.77 | CYP19A1 (0.88) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL1507798 | 0.76 | CYP19A1 (0.85) | CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4 | |
| SCHEMBL1507840 | 0.73 | CYP19A1 (0.70) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL28169691 | 0.73 | CYP19A1 (0.75) | CYP19A1CYP11B1CYP11B2CYP17A1MEN1 | |
| SCHEMBL1507768 | 0.73 | CYP19A1 (0.78) | CYP19A1CYP11B1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0236940-B3 | Alpha-heterocycle substituted tolunitriles | NOVARTIS AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| EP-0236940-B1 | ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES | CIBA-GEIGY AG (CH) | 1993-09-22 | — | — | EP | disclosed |
| EP-0236940-A2 | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | disclosed |