Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.54 |
| ▸ | SERPINE1 | P05121 | 5/20 | 0.51 |
| ▸ | ESR1 | P03372 | 3/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19670800 | 0.92 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL39599 | 0.84 | SERPINE1 (0.70) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL27840060 | 0.83 | SERPINE1 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12793495 | 0.81 | LMNA (0.69) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL29200784 | 0.81 | SERPINE1 (0.66) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL29200753 | 0.81 | SERPINE1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16742163 | 0.80 | PTPN11 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15044101 | 0.80 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL28018664 | 0.80 | SERPINE1 (0.63) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL26626292 | 0.78 | SERPINE1 (0.61) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190125712-A1 | COMPOUND FOR ENHANCING ACTIVITY OF ANTIBIOTIC COMPOSITIONS AND OVERCOMING DRUG RESISTANCE | SHOOLINI UNIVERSITY OF BIOTECHNOLOGY AND MANAGEMENT SCIENCES (IN) | 2019-05-02 | — | — | US | disclosed |
| EP-2949331-A1 | COMPOSITIONS COMPRISING S-ADENOSYLMETHIONINE AND A GALLIC ACID ESTER | Methylation Sciences International SRL (BB) | 2015-12-02 | — | — | EP | disclosed |