Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19995595 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL28298507 | 0.83 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL28296852 | 0.81 | HTR3A (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL28873499 | 0.80 | HCAR2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4HTR3A | |
| SCHEMBL28298496 | 0.79 | HTR3A (0.51) | SLC6A2SLC6A4SLC6A3HTR3AHTR2C | |
| SCHEMBL28296881 | 0.78 | HTR3A (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL28296843 | 0.77 | HTR3A (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL28296838 | 0.77 | HTR3A (0.43) | SLC6A2SLC6A4SLC6A3HTR3AHTR2C | |
| SCHEMBL28298499 | 0.77 | HTR3A (0.43) | SLC6A2SLC6A4SLC6A3HTR3AHTR2C | |
| SCHEMBL28873365 | 0.77 | HTR3A (0.43) | SLC6A2SLC6A4SLC6A3HTR3AHTR2C |
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 |