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 | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 12/20 | 0.45 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.45 |
| ▸ | PLK4 | O00444 | 2/20 | 0.45 |
| ▸ | MARK3 | P27448 | 2/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.45 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.45 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.45 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.45 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.45 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.45 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31537 | 0.95 | ROCK2 (0.47) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Bromide SCHEMBL28709695 | 0.94 | ROCK2 (0.46) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Iodide SCHEMBL28700199 | 0.94 | ROCK2 (0.46) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Hydrochloric Acid SCHEMBL999448 | 0.94 | ROCK2 (0.47) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| Formic Acid SCHEMBL28686548 | 0.91 | ROCK2 (0.43) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL998049 | 0.86 | ROCK2 (0.47) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL28481339 | 0.82 | ROCK2 (0.41) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL14990455 | 0.81 | ROCK2 (0.48) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL28657311 | 0.80 | ROCK2 (0.47) | ROCK2ROCK1PRKCDPLK4MARK3 | |
| SCHEMBL12925684 | 0.80 | ROCK2 (0.50) | ROCK2ROCK1PRKCDPLK4MARK3 |
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-113582926-B | Synthesis method of 4-fluoroisoquinoline-5-sulfonyl chloride or pharmaceutically acceptable salt thereof | 安徽有吉医药科技有限公司 | 2022-03-01 | — | — | CN | claimed |
| CN-113582926-A | Synthesis method of 4-fluoroisoquinoline-5-sulfonyl chloride or pharmaceutically acceptable salt thereof | 安徽有吉医药科技有限公司 | 2021-11-02 | — | — | CN | claimed |
| CN-113582926-B | Synthesis method of 4-fluoroisoquinoline-5-sulfonyl chloride or pharmaceutically acceptable salt thereof | 安徽有吉医药科技有限公司 | 2022-03-01 | — | — | CN | disclosed |
| CN-113582926-A | Synthesis method of 4-fluoroisoquinoline-5-sulfonyl chloride or pharmaceutically acceptable salt thereof | 安徽有吉医药科技有限公司 | 2021-11-02 | — | — | CN | disclosed |