Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | CA12 | O43570 | 3/20 | 0.65 |
| ▸ | CA4 | P22748 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 3/20 | 0.65 |
| ▸ | TYR | P14679 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.65 |
| ▸ | GAA | P10253 | 5/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.65 |
| ▸ | POLB | P06746 | 4/20 | 0.65 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.65 |
| ▸ | P4HB | P07237 | 4/20 | 0.65 |
| ▸ | MAOA | P21397 | 3/20 | 0.65 |
| ▸ | XDH | P47989 | 3/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.65 |
| ▸ | KDM1A | O60341 | 2/20 | 0.65 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | ALPI | P09923 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL13846138 | 0.87 | AKR1B1 (0.58) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL16131012 | 0.83 | AKR1B1 (0.93) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL30637476 | 0.83 | AKR1B1 (0.93) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13973823 | 0.83 | AKR1B1 (0.93) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13963384 | 0.83 | AKR1B1 (0.93) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL12377097 | 0.83 | AKR1B1 (0.93) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL31337090 | 0.82 | AKR1B1 (0.89) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL14340305 | 0.82 | AKR1B1 (0.89) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL30656037 | 0.80 | KDM4E (0.78) | AKR1B1CYP3A4CA12CA4CA7 | |
| SCHEMBL13846136 | 0.80 | POLH (0.66) | 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 |