Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL28590891 | 1.00 | KIF11 (0.41) | KIF11TDP2CA9CA12CHRNB2 | |
| SCHEMBL28590888 | 1.00 | KIF11 (0.41) | KIF11TDP2CA9CA12CHRNB2 | |
| SCHEMBL29279612 | 0.84 | HRH3 (0.44) | TDP2HRH3MEN1KMT2A | |
| SCHEMBL30731535 | 0.84 | HRH3 (0.44) | TDP2HRH3MEN1KMT2A | |
| SCHEMBL28590447 | 0.84 | CA12 (0.34) | CA9CA12HRH3MEN1ALDH1A1 | |
| SCHEMBL28590451 | 0.84 | CA12 (0.34) | CA9CA12HRH3MEN1ALDH1A1 | |
| SCHEMBL29629328 | 0.84 | CA12 (0.34) | CA9CA12HRH3MEN1ALDH1A1 | |
| SCHEMBL28594856 | 0.81 | HDAC4 (0.39) | CA9CA12CHRNB2CHRNA4HRH3 | |
| SCHEMBL28594858 | 0.81 | HDAC4 (0.39) | CA9CA12CHRNB2CHRNA4HRH3 | |
| SCHEMBL29629338 | 0.81 | HDAC4 (0.39) | CA9CA12CHRNB2CHRNA4HRH3 |
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 |