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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.59 |
| ▸ | RELA | Q04206 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 6/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067686 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| Isonicotinic Acid Octyl Ester SCHEMBL31313536 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| N-Decyl Isonicotinate SCHEMBL4957558 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| Isonicotinic Acid Hexyl Ester SCHEMBL4951158 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL1499927 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| Isonicotinic Acid Octadecyl Ester SCHEMBL3128513 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL13610196 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10780701 | 0.93 | LMNA (0.68) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| Isonicotinic Acid Pentyl Ester SCHEMBL1645891 | 0.91 | LMNA (0.66) | LMNANPC1SMN1; SMN2NFKB1NFKB2 | |
| Isonicotinic Acid Butyl Ester SCHEMBL4312059 | 0.86 | LMNA (0.67) | LMNANPC1SMN1; SMN2NFKB1NFKB2 |
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-107698445-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698436-A | Method for preparing aromatic polycarboxylic acid derivative | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698437-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698438-A | A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons | 朱翠英 | 2018-02-16 | — | — | CN | disclosed |