Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 8/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28581779 | 1.00 | HRH4 (0.41) | HRH4HRH3CCNE1CDK2AHR | |
| SCHEMBL29629340 | 0.82 | ADRA2A (0.40) | CCNE1CDK2AHRSRD5A1METAP1 | |
| SCHEMBL28596610 | 0.82 | ADRA2A (0.40) | CCNE1CDK2AHRSRD5A1METAP1 | |
| SCHEMBL30731535 | 0.78 | HRH3 (0.44) | HRH3SRD5A1HTTMAPTKDM4E | |
| SCHEMBL29629328 | 0.78 | CA12 (0.34) | HRH3ALDH1A1MAPTHPGDGAA | |
| SCHEMBL28590451 | 0.78 | CA12 (0.34) | HRH3ALDH1A1MAPTHPGDGAA | |
| SCHEMBL29279612 | 0.78 | HRH3 (0.44) | HRH3SRD5A1HTTMAPTKDM4E | |
| SCHEMBL29629330 | 0.78 | PPARG (0.40) | ARHPGDKDM4E | |
| SCHEMBL28596564 | 0.78 | PPARG (0.40) | ARHPGDKDM4E | |
| SCHEMBL28596563 | 0.78 | PPARG (0.40) | ARHPGDKDM4E |
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 |