Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.67 |
| ▸ | MAOB | P27338 | 5/20 | 0.58 |
| ▸ | MAOA | P21397 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28044324 | 0.99 | CYP1A2 (0.82) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233565 | 0.92 | CYP1A2 (0.72) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233623 | 0.92 | CYP1A2 (0.82) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233586 | 0.91 | CYP1A2 (0.71) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233599 | 0.91 | CYP1A2 (1.00) | CYP1A2KDM4EMAOBMAOAHRH3 | |
| SCHEMBL29233566 | 0.86 | HRH3 (0.73) | CYP1A2KDM4EMAOBMAOAHRH3 | |
| SCHEMBL29233576 | 0.85 | CYP1A2 (0.71) | CYP1A2KDM4EMAOBMAOAHRH3 | |
| SCHEMBL29233596 | 0.85 | CYP1A2 (0.88) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233573 | 0.84 | CYP1A2 (0.86) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL4577973 | 0.83 | MAOB (0.63) | CYP1A2KDM4EMAOBMAOAACHE |
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-118184614-A | Substituted benzo five-membered unsaturated heterocyclic compounds, and preparation method and application thereof | 中国医学科学院医药生物技术研究所 | 2024-06-14 | — | — | CN | disclosed |