Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Dihydroxyacetone. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.31 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL29820 | 0.86 | ALDH1A1 (0.41) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL17187059 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL27451943 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL1478991 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL17187057 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL5090654 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL27878548 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL27925652 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL28199777 | 0.82 | CA1 (0.35) | CA1CA2CA9ALDH1A1CA7 | |
| Phosphoric Acid SCHEMBL28097386 | 0.81 | ALDH1A1 (0.38) | CA1CA2CA9ALDH1A1CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140309186-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION | 2014-10-16 | — | — | US | disclosed |
| US-20110246081-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |
| WO-2009052186-A1 | METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |