Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL656814 | 0.86 | SLC6A4 (0.73) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL14534145 | 0.83 | SLC6A4 (0.63) | SLC6A4CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL11439731 | 0.81 | SLC6A4 (0.56) | SLC6A4CYP1A2CYP2D6CYP2C19AOC3 | |
| SCHEMBL1586261 | 0.81 | SLC6A4 (0.66) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL1586263 | 0.81 | SLC6A4 (0.66) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL13354941 | 0.81 | SLC6A4 (0.66) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL16767542 | 0.81 | SLC6A4 (0.66) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL334384 | 0.81 | SLC6A4 (0.66) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL334385 | 0.81 | SLC6A4 (0.66) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL9633193 | 0.81 | SLC6A4 (0.66) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA |
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-117440945-A | Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy | 上海和誉生物医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |
| WO-2023011505-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY | 上海和誉生物医药科技有限公司 | 2023-02-09 | — | — | WO | disclosed |