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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.45 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.45 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL343409 | 0.82 | HTT (0.47) | HTTTDP1CA1CA2L3MBTL1 | |
| SCHEMBL5058209 | 0.81 | HTT (0.49) | HTTTDP1CA1CA2CA12 | |
| SCHEMBL1941394 | 0.81 | HTT (0.46) | HTTTDP1CA1CA2L3MBTL1 | |
| Sulfuric Acid SCHEMBL29027308 | 0.81 | HTT (0.46) | HTTTDP1CA1CA2CA12 | |
| SCHEMBL10020888 | 0.80 | HTT (0.59) | HTTTDP1L3MBTL1GAAPKM | |
| SCHEMBL2087414 | 0.80 | ALDH1A1 (0.58) | HTTTDP1L3MBTL1ALDH1A1ALOX15 | |
| SCHEMBL9354657 | 0.79 | PKM (0.49) | HTTTDP1CA1CA2CA12 | |
| SCHEMBL1941389 | 0.79 | HTT (0.47) | HTTTDP1L3MBTL1PKMALDH1A1 | |
| SCHEMBL29798970 | 0.79 | HTT (0.47) | HTTTDP1L3MBTL1PKMALDH1A1 | |
| SCHEMBL13557413 | 0.79 | ALDH1A1 (0.51) | HTTTDP1L3MBTL1ALDH1A1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107954989-A | The preparation method of efficient selective EGFR mutant inhibitor AZD9291 | 李梦雪 | 2018-04-24 | — | — | CN | claimed |
| CN-107954989-A | The preparation method of efficient selective EGFR mutant inhibitor AZD9291 | 李梦雪 | 2018-04-24 | — | — | CN | disclosed |