Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | KLK1 | P06870 | 1/20 | 0.36 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25990239 | 0.93 | AKR1B1 (0.40) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL25990376 | 0.91 | AKR1B1 (0.38) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL25990257 | 0.90 | AKR1B1 (0.42) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL25981509 | 0.87 | AKR1B1 (0.40) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL25344184 | 0.86 | AKR1B1 (0.39) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL30539751 | 0.86 | AKR1B1 (0.39) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL25991776 | 0.86 | CNR2 (0.39) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL30539580 | 0.85 | AKR1B1 (0.39) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL25348067 | 0.85 | AKR1B1 (0.39) | AKR1B1KLKB1KLK1ROS1ALK | |
| SCHEMBL25350193 | 0.85 | AKR1B1 (0.38) | AKR1B1KLKB1KLK1ROS1ALK |
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-2023154905-A1 | ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2023-08-17 | — | — | WO | disclosed |