Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | TMEM97 | Q5BJF2 | 9/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.49 |
| ▸ | HRH2 | P25021 | 2/20 | 0.49 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | HTR1B | P28222 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR1E | P28566 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30385944 | 1.00 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL30386308 | 0.89 | FNTA (0.52) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL29020717 | 0.89 | FNTA (0.52) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL22581840 | 0.83 | TMEM97 (0.52) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL30385390 | 0.81 | TMEM97 (0.53) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL29020756 | 0.81 | TMEM97 (0.53) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL29020741 | 0.81 | TMEM97 (0.50) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL30384600 | 0.81 | TMEM97 (0.50) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL9727540 | 0.79 | NPSR1 (0.68) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL30748466 | 0.78 | TMEM97 (0.50) | SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115919859-B | Pharmaceutical composition of heteroaryl derivative and application of pharmaceutical composition in medicine | 四川海思科制药有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-115919859-A | Pharmaceutical composition of heteroaryl derivative and application thereof in medicine | 四川海思科制药有限公司 | 2023-04-07 | — | — | CN | disclosed |