Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 19/20 | 0.55 |
| ▸ | HTR7 | P34969 | 2/20 | 0.54 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | HTR1D | P28221 | 1/20 | 0.54 |
| ▸ | HTR1B | P28222 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HTR1E | P28566 | 1/20 | 0.54 |
| ▸ | HTR1F | P30939 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30091269 | 1.00 | HTR6 (0.55) | HTR6HTR7HTR4CYP1A2CYP3A4 | |
| SCHEMBL30091111 | 0.90 | HTR6 (0.48) | HTR6HTR7HTR4CYP1A2CYP3A4 | |
| SCHEMBL30091248 | 0.90 | HTR6 (0.59) | HTR6HTR7HTR4 | |
| SCHEMBL28920483 | 0.90 | HTR6 (0.59) | HTR6HTR7HTR4 | |
| SCHEMBL30091201 | 0.89 | MAPT (0.59) | HTR6HTR7HTR4CYP1A2CYP3A4 | |
| SCHEMBL28920490 | 0.89 | MAPT (0.59) | HTR6HTR7HTR4CYP1A2CYP3A4 | |
| SCHEMBL30091105 | 0.88 | HTR6 (0.55) | HTR6HTR7HTR1A | |
| SCHEMBL28920419 | 0.88 | HTR6 (0.55) | HTR6HTR7HTR1A | |
| SCHEMBL28920456 | 0.88 | HTR6 (0.55) | HTR6HTR7HTR4CYP1A2CYP3A4 | |
| SCHEMBL30091257 | 0.88 | HTR6 (0.55) | HTR6HTR7HTR4CYP1A2CYP3A4 |
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-109232362-B | Aromatic heterocyclic derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2022-12-27 | — | — | CN | disclosed |