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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ECE1 | P42892 | 5/20 | 0.39 |
| ▸ | MME | P08473 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL4078837 | 1.00 | KDM4E (0.40) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL2988687 | 0.93 | KDM4E (0.45) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL2988686 | 0.93 | KDM4E (0.45) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL9686357 | 0.80 | ECE1 (0.40) | ECE1MMECA2ACEMEN1 | |
| SCHEMBL2984211 | 0.78 | ECE1 (0.40) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL2984213 | 0.78 | ECE1 (0.40) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL2983728 | 0.78 | ECE1 (0.40) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL3105964 | 0.76 | ENPEP (0.35) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL3105955 | 0.76 | ENPEP (0.35) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL2985279 | 0.75 | ECE1 (0.47) | ECE1MMECA2ACEMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2009526755-A | — | — | 2009-07-23 | — | — | JP | claimed |
| EP-1979366-A2 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | Yu, Ruey J. (US) | 2008-10-15 | — | — | EP | claimed |
| WO-2007082206-A2 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | YU RUEY J (US) | 2007-07-19 | — | — | WO | claimed |
| EP-1979366-A2 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | Yu, Ruey J. (US) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007082206-A2 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | YU RUEY J (US) | 2007-07-19 | — | — | WO | disclosed |