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 | 2/20 | 0.63 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.63 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.63 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.63 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.63 |
| ▸ | MAP2K1 known ✓ | Q02750 | 1/20 | 0.63 |
| ▸ | NTRK3 known ✓ | Q16288 | 1/20 | 0.63 |
| ▸ | NTRK2 known ✓ | Q16620 | 1/20 | 0.63 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.55 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.55 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.55 |
| ▸ | RAF1 | P04049 | 14/20 | 0.63 |
| ▸ | BRAF | P15056 | 9/20 | 0.63 |
| ▸ | KDR | P35968 | 5/20 | 0.63 |
| ▸ | RET | P07949 | 3/20 | 0.63 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.63 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.63 |
| ▸ | ABL1 | P00519 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL1702479 | 0.98 | RAF1 (0.63) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL694648 | 0.96 | RAF1 (0.67) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL2045624 | 0.96 | RAF1 (0.60) | RAF1BRAFKDRRETAURKB | |
| Hydrochloric Acid SCHEMBL1702120 | 0.96 | RAF1 (0.66) | RAF1BRAFKDRRETAURKB | |
| Hydrochloric Acid SCHEMBL1702492 | 0.95 | RAF1 (0.65) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL1702409 | 0.93 | KDR (0.62) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL1702025 | 0.92 | KDR (0.72) | RAF1BRAFKDRRETAURKB | |
| Maleic Acid SCHEMBL1702367 | 0.92 | RAF1 (0.61) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL2042258 | 0.91 | RAF1 (0.55) | RAF1BRAFKDRRETAURKB | |
| SCHEMBL14481187 | 0.90 | RAF1 (0.59) | RAF1BRAFKDRRETAURKB |
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-2011076711-A2 | POLYMORPHS OF 4-[4-[[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYLAMINO]PHENOXY]-N-METHYLPYRIDINE-2-CARBOXAMIDE | RATIOPHARM GMBH (DE) | 2011-06-30 | — | — | WO | claimed |