Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Flavane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SLC8A1 | P32418 | 7/20 | 0.43 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Flavane SCHEMBL29083304 | 0.89 | ESR1 (0.49) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL26661841 | 0.89 | ESR1 (0.54) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL28448468 | 0.88 | SLC8A1 (0.50) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL27595228 | 0.87 | ESR1 (0.51) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL29478071 | 0.87 | ESR1 (0.51) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL27889134 | 0.87 | ESR1 (0.51) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL14394530 | 0.87 | ESR1 (0.51) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL123287 | 0.87 | ESR1 (0.51) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL29083305 | 0.87 | ESR1 (0.47) | ESR1ESR2ARADORA3KDM4E | |
| Flavane SCHEMBL27534413 | 0.86 | ESR1 (0.51) | ESR1ESR2ARADORA3KDM4E |
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-113582958-B | Flavane derivative and preparation and application thereof | 沈阳药科大学（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-113582958-A | Flavane derivative and preparation and application thereof | 沈阳药科大学 | 2021-11-02 | — | — | CN | disclosed |