Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7953637 | 0.84 | MAPK1 (0.40) | MAPK1NOS3NOS1NOS2MAOB | |
| SCHEMBL6554584 | 0.84 | TUBB4A (0.39) | MAPK1KDM4ELTA4HPLA2G2A | |
| SCHEMBL7386281 | 0.83 | ALDH1A1 (0.37) | MAPK1CYP1A2KDM4E | |
| SCHEMBL1569511 | 0.80 | ESR1 (0.39) | MAPK1NOS3NOS1NOS2MAOB | |
| SCHEMBL7387972 | 0.80 | MAPT (0.41) | MAOBKDM4ELTA4H | |
| SCHEMBL7389699 | 0.80 | HTR1B (0.43) | KDM4E | |
| SCHEMBL7995906 | 0.79 | CCR1 (0.34) | MAPK1NOS3NOS1NOS2MAOB | |
| SCHEMBL29023056 | 0.79 | CCR1 (0.34) | MAPK1NOS3NOS1NOS2MAOB | |
| SCHEMBL77754 | 0.77 | CA1 (0.39) | NOS3NOS1NOS2CYP1A2KDM4E | |
| SCHEMBL5257163 | 0.75 | ADRB2 (0.47) | CYP1A2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111018738-B | Paeonol derivative, pharmaceutical preparation, preparation method and application | 安徽医科大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-111018738-A | Paeonol derivative, pharmaceutical preparation, preparation method and application | 安徽医科大学 | 2020-04-17 | — | — | CN | disclosed |
| US-5389620-A | Bronchodilation agent, vasodilation | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-02-14 | — | — | US | disclosed |