Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28585902 | 1.00 | MAOB (0.39) | MAOBACHEALDH1A1ALDH2GAA | |
| SCHEMBL28988617 | 1.00 | MAOB (0.39) | MAOBACHEALDH1A1ALDH2GAA | |
| SCHEMBL29629335 | 0.83 | ADRA2A (0.40) | HTR2AHTR2CHTR2BMETAP1SIRT2 | |
| SCHEMBL28608348 | 0.83 | ADRA2A (0.40) | HTR2AHTR2CHTR2BMETAP1SIRT2 | |
| SCHEMBL28988605 | 0.83 | ACHE (0.40) | MAOBACHE | |
| SCHEMBL30367349 | 0.83 | ACHE (0.40) | MAOBACHE | |
| SCHEMBL30367476 | 0.81 | ALDH1A1 (0.37) | ALDH1A1NPC1CYP19A1 | |
| SCHEMBL28596563 | 0.79 | PPARG (0.40) | MAOBACHECREBBPCYP19A1 | |
| SCHEMBL12433395 | 0.79 | ACHE (0.53) | MAOBACHEALDH1A1ALDH2GAA | |
| SCHEMBL28596564 | 0.79 | PPARG (0.40) | MAOBACHECREBBPCYP19A1 |
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-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-115974825-A | Method for preparing 3-substituted chromanone through metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2023-04-18 | — | — | 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 |