Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.36 |
| ▸ | QDPR | P09417 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL1823938 | 0.92 | SLC6A2 (0.41) | NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4 | |
| SCHEMBL10078850 | 0.81 | QDPR (0.50) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL1822634 | 0.81 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2HTR1A | |
| SCHEMBL28298518 | 0.78 | QDPR (0.33) | SLC6A2SLC6A4SLC6A3KCNH2HTR1A | |
| SCHEMBL28296849 | 0.77 | DRD2 (0.47) | HTR1AHTR1DHTR1BHTR2AHTR2C | |
| SCHEMBL10078852 | 0.75 | DRD2 (0.51) | SLC6A2SLC6A4SLC6A3KCNH2HTR1A | |
| SCHEMBL13416053 | 0.74 | NPC1 (0.47) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2606075 | 0.74 | NPC1 (0.47) | NPC1RAB9ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13242901 | 0.73 | QDPR (0.44) | HTR1DHTR1BQDPR | |
| SCHEMBL28298511 | 0.72 | BRD4 (0.51) | — |
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 |