Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | ATP1A1 | P05023 | 3/20 | 0.59 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.59 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.59 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.59 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.59 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.59 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.59 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.59 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | TERT | O14746 | 5/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL152329 | 0.83 | ACE (0.73) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL7330918 | 0.79 | ACE (1.00) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL28990256 | 0.76 | MAOA (0.68) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL1444851 | 0.76 | ATP1A1 (1.00) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL30451609 | 0.76 | ATP1A1 (1.00) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| 3,4-Dihydroxyxanthone SCHEMBL133422 | 0.75 | PTGS2 (1.00) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| 3,4-Dihydroxyxanthone SCHEMBL30668688 | 0.75 | PTGS2 (1.00) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL30436568 | 0.75 | ATP1A1 (1.00) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL2313484 | 0.75 | ATP1A1 (1.00) | ACEPTGS2ATP1A1ATP1B1ATP1A3 | |
| Acetic Acid SCHEMBL7338419 | 0.72 | ACE (0.85) | ACEPTGS2ATP1A1ATP1B1ATP1A3 |
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-109369599-B | Xanthone compound and preparation method and application thereof | 广州医科大学 | 2023-03-24 | — | — | CN | disclosed |