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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.64 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.64 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.64 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.64 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.64 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.64 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.64 |
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.64 |
| ▸ | TLR7 known ✓ | Q9NYK1 | 1/20 | 0.64 |
| ▸ | CDK1 | P06493 | 1/20 | 0.86 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.64 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.64 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.64 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL5787832 | 0.96 | CDK1 (0.94) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL3230523 | 0.95 | CDK1 (0.96) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147618 | 0.89 | CDK1 (0.80) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147537 | 0.89 | CDK1 (0.80) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147600 | 0.89 | KDM4E (0.82) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147663 | 0.89 | KDM4E (0.82) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147009 | 0.88 | CDK1 (0.81) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147601 | 0.88 | KDM4E (0.84) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147619 | 0.86 | CDK1 (0.87) | CDK1LMNAKDM4EHSD17B10HTT | |
| SCHEMBL1147366 | 0.86 | CDK1 (0.87) | CDK1LMNAKDM4EHSD17B10HTT |
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-2005062723-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF 7-CHLORO-4-(5-N-EHTYL-N-2-HYDROXYETHYLAMINE)-2-PENTYL] AMINOQUINOLINE AND ITS INTERMEDIATES | IPCA LABORATORIES LIMITED (IN) | 2005-07-14 | — | — | WO | disclosed |