Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.69 |
| ▸ | MAOB | P27338 | 4/20 | 0.59 |
| ▸ | MAOA | P21397 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29233642 | 0.99 | CYP1A2 (0.84) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233586 | 0.93 | CYP1A2 (0.71) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233565 | 0.91 | CYP1A2 (0.72) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233623 | 0.91 | CYP1A2 (0.82) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233599 | 0.90 | CYP1A2 (1.00) | CYP1A2KDM4EMAOBMAOAHRH3 | |
| SCHEMBL29233566 | 0.85 | HRH3 (0.73) | CYP1A2KDM4EMAOBMAOAHRH3 | |
| SCHEMBL4577973 | 0.84 | MAOB (0.63) | CYP1A2KDM4EMAOBMAOAACHE | |
| SCHEMBL29233576 | 0.84 | CYP1A2 (0.71) | CYP1A2KDM4EMAOBMAOAHRH3 | |
| SCHEMBL29233596 | 0.84 | CYP1A2 (0.88) | CYP1A2KDM4EMAOBMAOANPSR1 | |
| SCHEMBL29233573 | 0.83 | CYP1A2 (0.86) | CYP1A2KDM4EMAOBMAOANPSR1 |
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-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 |
| CN-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | disclosed |