Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | MC3R | P41968 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5062627 | 0.81 | KDM4E (0.61) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| SCHEMBL11205932 | 0.79 | GAA (0.59) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| SCHEMBL1412848 | 0.79 | KDM4E (0.59) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| SCHEMBL3715797 | 0.78 | KDM4E (0.57) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 | 0.78 | ADORA3 (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL27830128 | 0.78 | NPC1 (0.57) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| SCHEMBL30586327 | 0.78 | KDM4E (0.59) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| SCHEMBL12974166 | 0.78 | KDM4E (0.57) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| SCHEMBL2310303 | 0.78 | KDM4E (0.59) | GAAKDM4ENAPRTHCAR2ADORA3 | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL18038330 | 0.76 | ADORA3 (0.59) | KDM4ENAPRTHCAR2ADORA3TSHR |
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-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |