Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15147104 | 1.00 | ACHE (0.48) | ACHEMAOAMAOBKLK5BACE1 | |
| SCHEMBL28988620 | 1.00 | ACHE (0.48) | ACHEMAOAMAOBKLK5BACE1 | |
| SCHEMBL8927781 | 1.00 | ACHE (0.48) | ACHEMAOAMAOBKLK5BACE1 | |
| SCHEMBL28990331 | 0.77 | MAOB (0.43) | ACHEMAOAMAOBKLK5SIRT1 | |
| SCHEMBL31185920 | 0.77 | ANPEP (0.47) | MAOAMAOBKLK5SIRT1PPARG | |
| SCHEMBL2428943 | 0.77 | MAOB (0.43) | ACHEMAOAMAOBKLK5SIRT1 | |
| SCHEMBL2885515 | 0.77 | MAOA (0.43) | MAOAMAOBKLK5SIRT1PPARG | |
| SCHEMBL4467512 | 0.77 | ANPEP (0.47) | MAOAMAOBKLK5SIRT1PPARG | |
| SCHEMBL3345089 | 0.77 | MAOB (0.43) | ACHEMAOAMAOBKLK5SIRT1 | |
| SCHEMBL10534806 | 0.77 | MAOB (0.43) | MAOAMAOBKLK5SIRT1PPARG |
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-115974825-B | Method for preparing 3-substituted chromanone by metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2024-03-05 | — | — | CN | disclosed |
| CN-112898259-B | Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation | 中国科学院化学研究所 | 2022-05-17 | — | — | CN | disclosed |