Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27270503 | 0.86 | PARP1 (0.37) | KCNH2PARP1HRH4GRIN2DGRIN3B | |
| SCHEMBL23343749 | 0.83 | ADORA2A (0.37) | KCNH2PARP1HRH4CXCR4NOS1 | |
| SCHEMBL1581851 | 0.81 | KCNH2 (0.36) | KCNH2PARP1HRH4GRIN2DGRIN3B | |
| SCHEMBL31481285 | 0.81 | KCNH2 (0.36) | KCNH2PARP1HRH4GRIN2DGRIN3B | |
| SCHEMBL24453820 | 0.80 | GABRA1 (0.39) | KCNH2NOS1NOS2NPSR1GABRA1 | |
| SCHEMBL15832403 | 0.80 | IRAK4 (0.39) | KCNH2PARP1HRH4CXCR4GABRA1 | |
| SCHEMBL13178690 | 0.79 | NOS1 (0.37) | KCNH2PARP1HRH4GRIN2DGRIN3B | |
| Ammonia Solution, Strong SCHEMBL7989286 | 0.79 | KCNH2 (0.35) | KCNH2PARP1HRH4GRIN2DGRIN3B | |
| SCHEMBL20738454 | 0.79 | PARP1 (0.35) | KCNH2PARP1HRH4GRIN2DGRIN3B | |
| SCHEMBL22895136 | 0.78 | KCNH2 (0.34) | KCNH2PARP1HRH4CXCR4NOS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112390825-B | Metal organic complex with near-infrared absorption and emission performance and preparation method thereof | 武汉大学 | 2021-09-14 | — | — | CN | disclosed |
| CN-112390825-A | Metal organic complex with near-infrared absorption and emission performance and preparation method thereof | 武汉大学 | 2021-02-23 | — | — | CN | disclosed |