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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL695515 | 0.94 | P2RX7 (0.49) | P2RX7HPGDCHRM1CHRM3GID4 | |
| SCHEMBL30946666 | 0.78 | P2RX7 (0.52) | P2RX7HPGDCHRM1CHRM3EPHX2 | |
| SCHEMBL13746003 | 0.77 | PKM (0.56) | P2RX7HPGDCHRM1CHRM3LMNA | |
| SCHEMBL29541881 | 0.77 | BCHE (0.48) | REN | |
| Hydrochloric Acid SCHEMBL695211 | 0.77 | P2RX7 (0.54) | P2RX7HPGDCHRM1CHRM3 | |
| SCHEMBL2448742 | 0.76 | HPGD (0.75) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL9935290 | 0.76 | HPGD (0.75) | HPGDCA12CA1CA2CA9 | |
| SCHEMBL3990083 | 0.75 | AURKA (0.43) | P2RX7HPGDCHRM1CHRM3AURKA | |
| Hydrochloric Acid SCHEMBL695273 | 0.75 | HPGD (0.59) | HPGD | |
| SCHEMBL2450367 | 0.73 | HTR2C (0.56) | HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421828-A2 | PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN | Cadila Healthcare Limited (IN) | 2012-02-29 | — | — | EP | disclosed |