Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28298499 | 1.00 | HTR3A (0.43) | HTR3AMPOHRH4PDE4BHTR2C | |
| SCHEMBL28873365 | 1.00 | HTR3A (0.43) | HTR3AMPOHRH4PDE4BHTR2C | |
| SCHEMBL21527890 | 0.91 | HTR3A (0.50) | HTR3AMPOPDE4BCYP2D6SLC6A2 | |
| SCHEMBL1822208 | 0.91 | HTR3A (0.50) | HTR3AMPOPDE4BCYP2D6SLC6A2 | |
| SCHEMBL21527834 | 0.91 | HTR3A (0.50) | HTR3AMPOPDE4BCYP2D6SLC6A2 | |
| SCHEMBL28296843 | 0.83 | HTR3A (0.38) | HTR3AMPOHTR2CSLC6A2SLC6A4 | |
| SCHEMBL28298501 | 0.83 | HTR3A (0.56) | HTR3AMPOHTR2C | |
| SCHEMBL24127329 | 0.82 | DRD2 (0.47) | HTR2CCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28873499 | 0.80 | HCAR2 (0.38) | HTR3AMPOHTR2C | |
| SCHEMBL1823726 | 0.79 | HTR3A (0.56) | HTR3ACYP2D6SLC6A2SLC6A4SLC6A3 |
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-109715155-A | blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |