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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27555045 | 0.82 | ALOX15 (0.57) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| SCHEMBL27555044 | 0.75 | ALOX15 (0.49) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| Isoflavone SCHEMBL28280534 | 0.75 | ALDH1A1 (0.61) | ALOX15ALOX12ALDH1A1KDM4ENPC1 | |
| SCHEMBL10486563 | 0.75 | ALOX15 (0.70) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| SCHEMBL28576970 | 0.74 | ALOX15 (0.60) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| SCHEMBL30903607 | 0.74 | ALOX15 (0.60) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| SCHEMBL8876811 | 0.73 | ALOX15 (0.56) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| SCHEMBL8876175 | 0.72 | ALOX15 (0.58) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| SCHEMBL27924239 | 0.72 | ALOX15 (0.57) | ALOX15ALOX12PIK3CAALDH1A1KDM4E | |
| SCHEMBL8876237 | 0.70 | ALOX15 (0.55) | ALOX15ALOX12PIK3CAALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019196955-A1 | HYDROPHILIC BERBERINE DERIVATIVE WITH R10 AND R11 CONNECTED AND APPLICATION THEREOF IN PREPARATION OF DRUGS | 中国医学科学院药物研究所 | 2019-10-17 | — | — | WO | disclosed |