Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25081503 | 1.00 | HRH3 (0.42) | HRH3ERBB2EPHA2KDREPHB4 | |
| SCHEMBL25808276 | 0.89 | HRH3 (0.51) | HRH3ERBB2EPHA2KDREPHB4 | |
| SCHEMBL25808277 | 0.89 | HRH3 (0.51) | HRH3ERBB2EPHA2KDREPHB4 | |
| SCHEMBL25682373 | 0.84 | HRH3 (0.43) | HRH3ERBB2EPHA2KDREPHB4 | |
| SCHEMBL26999673 | 0.82 | PDK1 (0.50) | HRH3ERBB2EPHA2KDREPHB4 | |
| SCHEMBL25081505 | 0.81 | HRH3 (0.40) | HRH3ERBB2EPHA2KDREPHB4 | |
| SCHEMBL25081526 | 0.81 | HRH3 (0.40) | HRH3ERBB2EPHA2KDREPHB4 | |
| SCHEMBL25081521 | 0.76 | CHRM2 (0.33) | HRH3CHRM2HTR1ADRD3HTR2B | |
| SCHEMBL25081495 | 0.76 | CHRM2 (0.33) | HRH3CHRM2HTR1ADRD3HTR2B | |
| SCHEMBL25125333 | 0.74 | HRH3 (0.39) | HRH3PDK1 |
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-2023020519-A1 | 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2023-02-23 | — | — | WO | disclosed |