Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12238827 | 1.00 | TAAR1 (0.47) | TAAR1KDM4ETDP1HIF1ASMN1; SMN2 | |
| SCHEMBL4753451 | 0.87 | KDM4E (0.49) | TAAR1KDM4ETDP1HIF1ASMN1; SMN2 | |
| SCHEMBL27820566 | 0.86 | TAAR1 (0.48) | TAAR1KDM4ETDP1HIF1ASMN1; SMN2 | |
| SCHEMBL16901650 | 0.83 | AOC3 (0.61) | TAAR1KDM4ETDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14393835 | 0.83 | AOC3 (0.61) | TAAR1KDM4ETDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2093623 | 0.83 | AOC3 (0.61) | TAAR1KDM4ETDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL328574 | 0.81 | TDP1 (0.51) | TAAR1KDM4ETDP1HIF1ASMN1; SMN2 | |
| SCHEMBL25101015 | 0.80 | TAAR1 (0.54) | TAAR1KDM4ETDP1HIF1ASMN1; SMN2 | |
| SCHEMBL6320573 | 0.80 | TAAR1 (0.54) | TAAR1KDM4ETDP1HIF1ASMN1; SMN2 | |
| SCHEMBL2532624 | 0.79 | TAAR1 (0.39) | TAAR1KDM4ETDP1HIF1ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112159390-B | Synephrine fluoroquinolone derivative and preparation method and application thereof | 西南大学 | 2022-07-19 | — | — | CN | disclosed |
| CN-112079782-B | Synephrine azole derivatives, and preparation method and application thereof | 西南大学 | 2022-06-28 | — | — | CN | disclosed |