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 | |
|---|---|---|---|---|
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL87997 | 0.87 | ALDH1A1 (0.58) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL11649305 | 0.85 | ALDH1A1 (0.56) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| Chavicol SCHEMBL1074731 | 0.82 | XDH (0.48) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL8329694 | 0.81 | ALDH1A1 (0.59) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| Chavicol SCHEMBL9700232 | 0.79 | ALDH1A1 (0.43) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| Allylbenzene SCHEMBL44762 | 0.79 | CNR2 (0.50) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| Allylbenzene SCHEMBL11301260 | 0.79 | CNR2 (0.50) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| Allylbenzene SCHEMBL18040305 | 0.78 | CNR2 (0.49) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| Allylbenzene SCHEMBL18040306 | 0.78 | CNR2 (0.49) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 | |
| SCHEMBL87584 | 0.78 | TDP1 (0.55) | CNR2ALDH1A1SMN1; SMN2CYP3A4TP53 |
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-2614106-B1 | PBI MODIFICATION AND CROSSLINKING METHOD | WHITEFOX TECH LTD (GB) | 2017-04-05 | — | — | EP | claimed |