Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL21322418 | 0.89 | TAAR1 (0.56) | TAAR1RIPK1AOC3SLC6A2HTR2A | |
| SCHEMBL14889555 | 0.85 | CYP3A4 (0.38) | TAAR1RIPK1CYP3A4CYP2C9SLC6A2 | |
| SCHEMBL19285954 | 0.84 | SHBG (0.36) | TAAR1RIPK1CYP3A4GRIA4PDE2A | |
| SCHEMBL5918492 | 0.79 | RIPK1 (0.46) | TAAR1RIPK1AOC3ESR1ESR2 | |
| SCHEMBL21929515 | 0.75 | SHBG (0.39) | RIPK1CYP3A4GRIA4PDE2A | |
| SCHEMBL21688445 | 0.73 | TAAR1 (0.54) | TAAR1RIPK1AOC3SLC6A2HTR2A | |
| SCHEMBL507696 | 0.72 | HRH3 (0.39) | TAAR1RIPK1ESR1ESR2SLC6A4 | |
| SCHEMBL15279366 | 0.70 | ESR1 (0.50) | TAAR1CYP1A2CYP3A4CYP2C9HIF1A | |
| SCHEMBL3151324 | 0.70 | MAPT (0.49) | RIPK1CYP1A2CYP3A4ESR1ESR2 | |
| SCHEMBL2421671 | 0.70 | GRIA4 (0.40) | TAAR1RIPK1CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021213492-A1 | DRUG-CARRYING MACROMOLECULE AND PREPARATION METHOD THEREFOR | 上海森辉医药有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |