Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA7 | P43166 | 3/20 | 0.59 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.59 |
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17297683 | 0.92 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1664013 | 0.78 | CA12 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18292632 | 0.78 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL869061 | 0.77 | ESR1 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13266684 | 0.77 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| Ethylgallate SCHEMBL39599 | 0.77 | SERPINE1 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20901172 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9924654 | 0.77 | CYP2C9 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13220611 | 0.77 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13081941 | 0.77 | LMNA (0.56) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9833425-B2 | Gentisic acid is used to improve systemic hemodynamics, hepatic mitochondrial function and lactate acidemia in patients with septic shock | UNIVERSITY OF MANITOBA (CA) | 2017-12-05 | — | — | US | disclosed |