Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR1E | P28566 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL28296842 | 0.78 | NPC1 (0.37) | QDPRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL28296849 | 0.71 | DRD2 (0.47) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| SCHEMBL19995887 | 0.71 | PDE4B (0.42) | ATM | |
| SCHEMBL19996150 | 0.71 | PDE4B (0.42) | ATM | |
| SCHEMBL28296852 | 0.69 | HTR3A (0.38) | SLC6A2SLC6A4SLC6A3HTR2CHTR3A | |
| SCHEMBL1823938 | 0.68 | SLC6A2 (0.41) | QDPRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL1820343 | 0.68 | SLC6A2 (0.49) | QDPRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL20006124 | 0.68 | RAB9A (0.43) | — | |
| SCHEMBL19995568 | 0.68 | RAB9A (0.43) | — | |
| SCHEMBL13698226 | 0.66 | SLC6A2 (0.48) | QDPRSLC6A2SLC6A4SLC6A3KCNH2 |
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 |