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 | 0.41 |
| ▸ | KIF11 | P52732 | 4/20 | 0.45 |
| ▸ | PARP14 | Q460N5 | 10/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28215214 | 0.91 | KIF11 (0.45) | KIF11PARP14MAPTJAK2TP53 | |
| SCHEMBL9271477 | 0.90 | KIF11 (0.53) | KIF11MAPTJAK2TP53HTT | |
| Hydrogen Sulfide SCHEMBL28215820 | 0.89 | KIF11 (0.52) | KIF11MAPTJAK2TP53HTT | |
| Carbazole SCHEMBL742559 | 0.75 | ALDH1A1 (0.70) | KIF11MAPTHTTGABRPGABRD | |
| Carbazole SCHEMBL10650068 | 0.75 | ALDH1A1 (0.70) | KIF11MAPTHTTGABRPGABRD | |
| SCHEMBL329711 | 0.73 | KIF11 (0.50) | KIF11PARP14MAPTJAK2TP53 | |
| Sulfuric Acid SCHEMBL4830424 | 0.73 | CA2 (0.41) | ALDH1A1HSD17B10KDM4ECYP1A2TSHR | |
| SCHEMBL9625037 | 0.72 | KIF11 (0.49) | KIF11PARP14MAPTJAK2TP53 | |
| Hydrochloric Acid SCHEMBL28097170 | 0.72 | KIF11 (0.49) | KIF11PARP14MAPTJAK2TP53 | |
| Formaldehyde SCHEMBL28971933 | 0.71 | KIF11 (0.51) | KIF11PARP14MAPTJAK2TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108314674-A | A kind of Ai Li replaces the preparation method of Buddhist nun's intermediate | 董丹丹 | 2018-07-24 | — | — | CN | claimed |
| CN-108033947-A | Treat the preparation method that non-small cell lung cancer drug Ai Li replaces Buddhist nun | 董丹丹 | 2018-05-15 | — | — | CN | claimed |
| CN-108314674-A | A kind of Ai Li replaces the preparation method of Buddhist nun's intermediate | 董丹丹 | 2018-07-24 | — | — | CN | disclosed |
| CN-108033947-A | Treat the preparation method that non-small cell lung cancer drug Ai Li replaces Buddhist nun | 董丹丹 | 2018-05-15 | — | — | CN | disclosed |