Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | P4HB | P07237 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALPI | P09923 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13846227 | 0.87 | AKR1B1 (0.77) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13846218 | 0.78 | POLH (0.59) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13846225 | 0.77 | POLH (0.47) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13846136 | 0.76 | POLH (0.66) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13846223 | 0.75 | POLH (0.65) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13632625 | 0.75 | KDM4E (0.77) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13846215 | 0.74 | POLH (0.49) | POLH | |
| SCHEMBL13846134 | 0.72 | POLH (0.58) | AKR1B1KDM4EGAAMAPTPOLB | |
| SCHEMBL13963384 | 0.70 | AKR1B1 (0.93) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13973823 | 0.70 | AKR1B1 (0.93) | AKR1B1CYP3A4CA12CA4CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009064485-A1 | ANTIOXIDANT FLAVONOID DERIVATIVES | TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-05-22 | — | — | WO | disclosed |