Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28585932 | 1.00 | GRIA1 (0.43) | GRIA1CACNG8CA12CA9EDNRB | |
| SCHEMBL28585931 | 1.00 | GRIA1 (0.43) | GRIA1CACNG8CA12CA9EDNRB | |
| SCHEMBL30731535 | 0.84 | HRH3 (0.44) | LMNAMEN1KMT2AHRH3 | |
| SCHEMBL29279612 | 0.84 | HRH3 (0.44) | LMNAMEN1KMT2AHRH3 | |
| SCHEMBL28590451 | 0.82 | CA12 (0.34) | CA12CA9ALDH1A1MEN1KMT2A | |
| SCHEMBL29629328 | 0.82 | CA12 (0.34) | CA12CA9ALDH1A1MEN1KMT2A | |
| SCHEMBL28590447 | 0.82 | CA12 (0.34) | CA12CA9ALDH1A1MEN1KMT2A | |
| SCHEMBL28586495 | 0.81 | PARP10 (0.40) | DRD2HTR7CLK4ALDH1A1MAPK1 | |
| SCHEMBL29629333 | 0.81 | PARP10 (0.40) | DRD2HTR7CLK4ALDH1A1MAPK1 | |
| SCHEMBL28586497 | 0.81 | PARP10 (0.40) | DRD2HTR7CLK4ALDH1A1MAPK1 |
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-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 |