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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | BLM | P54132 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28879645 | 0.97 | MEN1 (0.41) | MEN1ALDH1A1TSHRKMT2ACA5A | |
| Sulfuric Acid SCHEMBL29291373 | 0.90 | MEN1 (0.60) | MEN1ALDH1A1TSHRKMT2ACA5A | |
| Sulfuric Acid SCHEMBL29291375 | 0.87 | MEN1 (0.56) | MEN1ALDH1A1TSHRKMT2A | |
| Formaldehyde SCHEMBL29291374 | 0.81 | — | — | |
| Sulfuric Acid SCHEMBL8016789 | 0.81 | CA5A (0.55) | MEN1ALDH1A1TSHRKMT2ACA5A | |
| Formaldehyde SCHEMBL28936795 | 0.81 | — | — | |
| Formaldehyde SCHEMBL27569148 | 0.81 | — | — | |
| Formaldehyde SCHEMBL29227686 | 0.81 | — | — | |
| Formaldehyde SCHEMBL27775060 | 0.80 | CA2 (0.53) | MEN1ALDH1A1TSHRKMT2A | |
| Formaldehyde SCHEMBL28007588 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105530937-A | Combination therapy with 7-benzyl-10- (2-methylbenzyl) -2,6,7,8,9, 10-hexahydroimidazo [1,2-A ] pyrido [4,3-D ] pyrimidin-5 (3H) -one | ONCOCEUTICS INC | 2016-04-27 | — | — | CN | disclosed |