Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30570960 | 1.00 | HTR2C (0.40) | HTR2CHTR2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL29070708 | 0.93 | HTR2C (0.40) | HTR2CHTR2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL29070741 | 0.79 | CYP1A2 (0.38) | HTR2CHTR2ACHRNB2CHRNA4CA1 | |
| SCHEMBL30570966 | 0.79 | CYP1A2 (0.38) | HTR2CHTR2ACHRNB2CHRNA4CA1 | |
| SCHEMBL29070676 | 0.79 | CHRNB2 (0.36) | HTR2CHTR2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL29070744 | 0.78 | HTR2C (0.40) | HTR2CHTR2ACHRNB2CHRNA4CA1 | |
| SCHEMBL30570965 | 0.78 | HTR2C (0.40) | HTR2CHTR2ACHRNB2CHRNA4CA1 | |
| SCHEMBL19225173 | 0.74 | BRD4 (0.50) | NISCHCREBBPALDH1A1SMN1; SMN2 | |
| SCHEMBL15508279 | 0.74 | BRD4 (0.50) | NISCHCREBBPALDH1A1SMN1; SMN2 | |
| SCHEMBL2723593 | 0.74 | BRD4 (0.50) | NISCHCREBBPALDH1A1SMN1; SMN2 |
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-116751170-A | Method for directly preparing semi-hydrogenated nitrogen-containing aromatic heterocyclic compound from sugar | 浙江大学 | 2023-09-15 | — | — | CN | disclosed |