Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001171 | 0.88 | KDM4E (0.50) | KDM4ECYP1A2MAPTP2RX7IKBKB | |
| SCHEMBL21722896 | 0.84 | AR (0.42) | NR3C2KDM4ECHEK2AURKARPS6KB1 | |
| SCHEMBL30006999 | 0.84 | KDM4E (0.47) | KDM4ECYP1A2MAPTRPS6KB1 | |
| SCHEMBL28492022 | 0.84 | KDM4E (0.47) | KDM4ECYP1A2MAPTRPS6KB1 | |
| SCHEMBL28206383 | 0.81 | KDM4E (0.39) | NR3C2KDM4ECYP1A2MAPTP2RX7 | |
| SCHEMBL30006783 | 0.81 | TDP1 (0.49) | NR3C2KDM4ECHEK2PLAUAURKA | |
| SCHEMBL2516051 | 0.80 | KDM4E (0.49) | KDM4ECYP1A2MAPTP2RX7IKBKB | |
| SCHEMBL162188 | 0.79 | L3MBTL1 (0.50) | KDM4ECYP1A2MAPTPLAUP2RX7 | |
| SCHEMBL8722199 | 0.79 | PARP10 (0.47) | KDM4ECYP1A2MAPT | |
| Hydrochloric Acid SCHEMBL28847816 | 0.78 | L3MBTL1 (0.49) | KDM4ECYP1A2MAPTPLAUP2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111808023-B | Method for preparing 3-aryl isoquinoline derivative | 四川大学 | 2022-10-21 | — | — | CN | disclosed |