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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061377 | 0.91 | HRH3 (0.53) | HRH3CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL11057521 | 0.91 | LTA4H (0.49) | HRH3CYP1A2CYP3A4CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL11061505 | 0.90 | HRH3 (0.51) | HRH3CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL8845495 | 0.86 | LTA4H (0.58) | HRH3CYP1A2CYP3A4KDM4ELTA4H | |
| Hydrochloric Acid SCHEMBL10574784 | 0.84 | LTA4H (0.56) | HRH3CYP1A2CYP3A4KDM4ELTA4H | |
| SCHEMBL11059004 | 0.77 | EBP (0.53) | HRH3CYP1A2CYP2C19KDM4ELTA4H | |
| Sulfuric Acid SCHEMBL11055910 | 0.75 | HRH3 (0.54) | HRH3KDM4ELTA4H | |
| SCHEMBL5971888 | 0.74 | HRH3 (0.54) | HRH3CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL11060217 | 0.74 | HRH3 (0.50) | HRH3KDM4EBLMLTA4HKEAP1 | |
| SCHEMBL3143891 | 0.73 | HRH3 (0.53) | HRH3CYP1A2CYP3A4CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4442119-A | Cyclopropyl analogs as estrogenic and anti-fertility agents | THE BOARD OF REGENTS FOR THE UNIVERSITY OF OKLAHOMA (US) | 1984-04-10 | — | — | US | disclosed |