Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 15/20 | 0.61 |
| ▸ | THRB | P10828 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B | O95264 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30091139 | 1.00 | HTR6 (0.61) | HTR6THRBCYP3A4HTR3EHTR3B | |
| SCHEMBL5200846 | 0.92 | HTR6 (0.67) | HTR6THRBCYP3A4HTR3EHTR3B | |
| SCHEMBL28920500 | 0.88 | HTR6 (0.54) | HTR6THRBCYP3A4HTR1AHTR2A | |
| SCHEMBL30091186 | 0.88 | HTR6 (0.54) | HTR6THRBCYP3A4HTR1AHTR2C | |
| SCHEMBL30091189 | 0.88 | HTR6 (0.54) | HTR6THRBCYP3A4HTR1AHTR2A | |
| SCHEMBL28920380 | 0.88 | HTR6 (0.54) | HTR6THRBCYP3A4HTR1AHTR2C | |
| SCHEMBL28920402 | 0.87 | HTR6 (0.51) | HTR6THRBCYP3A4HTR3EHTR3B | |
| SCHEMBL30091119 | 0.87 | HTR6 (0.51) | HTR6THRBCYP3A4HTR3EHTR3B | |
| SCHEMBL28920440 | 0.87 | MAPT (0.51) | HTR6THRBCYP3A4HTR3EHTR3B | |
| SCHEMBL30091115 | 0.87 | MAPT (0.51) | HTR6THRBCYP3A4HTR3EHTR3B |
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 |