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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.89 |
| ▸ | TDO2 | P48775 | 5/20 | 0.89 |
| ▸ | CDC7 | O00311 | 8/20 | 0.48 |
| ▸ | DBF4 | Q9UBU7 | 8/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL7816954 | 0.94 | IDO1 (1.00) | IDO1TDO2CDC7DBF4CCNE1 | |
| SCHEMBL7808047 | 0.84 | IDO1 (0.79) | IDO1TDO2CDC7DBF4PTGS2 | |
| SCHEMBL30317893 | 0.81 | IDO1 (1.00) | IDO1TDO2CDC7DBF4CCNE1 | |
| SCHEMBL30317886 | 0.81 | IDO1 (1.00) | IDO1TDO2CDC7DBF4CCNE1 | |
| SCHEMBL7812685 | 0.79 | IDO1 (0.72) | IDO1TDO2PTGS2NPC1ALDH1A1 | |
| SCHEMBL7805767 | 0.78 | IDO1 (0.71) | IDO1TDO2PTGS2NPC1ALDH1A1 | |
| SCHEMBL7805763 | 0.77 | IDO1 (0.69) | IDO1TDO2CDC7DBF4CCNE1 | |
| SCHEMBL7805851 | 0.73 | IDO1 (0.63) | IDO1TDO2NPC1ALDH1A1MAPT | |
| SCHEMBL8595445 | 0.73 | IDO1 (0.82) | IDO1TDO2 | |
| SCHEMBL7805902 | 0.73 | IDO1 (0.63) | IDO1TDO2PTGS2NPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0876356-B1 | USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF | INNOTHERA SA LAB (FR) | 2001-10-31 | — | — | EP | claimed |
| US-6262095-B1 | TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA | LABORATOIRE INNOTHERA (FR) | 2001-07-17 | — | — | US | disclosed |