Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 18/20 | 1.00 |
| ▸ | HTR1A | P08908 | 5/20 | 0.77 |
| ▸ | HTR2A | P28223 | 5/20 | 0.77 |
| ▸ | DRD3 | P35462 | 5/20 | 0.68 |
| ▸ | DRD4 | P21917 | 4/20 | 0.68 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.68 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.68 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.68 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.68 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.68 |
| ▸ | DRD1 | P21728 | 2/20 | 0.68 |
| ▸ | DRD5 | P21918 | 2/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.68 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.68 |
| ▸ | HTR1D | P28221 | 2/20 | 0.68 |
| ▸ | HTR1B | P28222 | 2/20 | 0.68 |
| ▸ | HTR2C | P28335 | 2/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.68 |
| ▸ | HTR7 | P34969 | 2/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL8423 | 1.00 | DRD2 (1.00) | DRD2HTR1AHTR2ADRD3DRD4 | |
| SCHEMBL29549434 | 1.00 | DRD2 (1.00) | DRD2HTR1AHTR2ADRD3DRD4 | |
| Hydrochloric Acid SCHEMBL29365523 | 0.99 | DRD2 (0.98) | DRD2HTR1AHTR2ADRD3DRD4 | |
| SCHEMBL30964304 | 0.99 | DRD2 (0.98) | DRD2HTR1AHTR2ADRD3DRD4 | |
| Hydrochloric Acid SCHEMBL29923538 | 0.99 | DRD2 (0.98) | DRD2HTR1AHTR2ADRD3DRD4 | |
| SCHEMBL14587005 | 0.97 | DRD2 (0.94) | DRD2HTR1AHTR2ADRD3DRD4 | |
| SCHEMBL251904 | 0.96 | DRD2 (1.00) | DRD2HTR1AHTR2ADRD3DRD4 | |
| SCHEMBL253673 | 0.93 | DRD2 (1.00) | DRD2HTR1AHTR2ADRD3DRD4 | |
| SCHEMBL13532797 | 0.93 | DRD2 (0.87) | DRD2HTR1AHTR2ADRD3DRD4 | |
| SCHEMBL14188956 | 0.90 | DRD2 (0.82) | DRD2HTR1AHTR2ADRD3DRD4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112666267-B | Method for detecting related substances of aripiprazole drug substance | 上海上药中西制药有限公司 | 2023-09-26 | — | — | CN | claimed |
| CN-118121699-A | TPK agonists and methods of using the same for treating neurodegenerative diseases | 上海日馨医药科技股份有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-117769545-A | Tri-fused ring derivative-containing regulator, preparation method and application thereof | 上海枢境生物科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-117288847-A | Method for measuring content of related substances and preservative of aripiprazole oral solution | 万特制药(海南)有限公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-112666267-B | Method for detecting related substances of aripiprazole drug substance | 上海上药中西制药有限公司 | 2023-09-26 | — | — | CN | disclosed |