Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 12/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.39 |
| ▸ | PARP6 | Q2NL67 | 2/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.39 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.38 |
| ▸ | GABRD | O14764 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28495313 | 1.00 | AURKA (0.41) | AURKAMALT1PARP1MAPTHTR3A | |
| SCHEMBL21467350 | 0.92 | MAPT (0.42) | MALT1PARP1MAPTATMPARP2 | |
| SCHEMBL30615677 | 0.85 | DAO (0.44) | AURKAPARP1MAPTPARP2PARP6 | |
| SCHEMBL28495301 | 0.85 | DAO (0.44) | AURKAPARP1MAPTPARP2PARP6 | |
| SCHEMBL21463825 | 0.82 | MAPT (0.49) | AURKAPARP1MAPTPARP2PARP6 | |
| SCHEMBL30615580 | 0.82 | MAPT (0.49) | AURKAPARP1MAPTPARP2PARP6 | |
| SCHEMBL21463622 | 0.81 | ADORA3 (0.43) | MAPTATMGABRPGABRDGABRA1 | |
| SCHEMBL30615566 | 0.81 | ADORA3 (0.43) | MAPTATMGABRPGABRDGABRA1 | |
| SCHEMBL28488054 | 0.79 | KCNMA1 (0.47) | PARP1MAPTPARP2PARP6PARP3 | |
| SCHEMBL21464136 | 0.78 | DAO (0.44) | PARP1MAPTPARP2PARP6PARP3 |
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-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |