Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL27545971 | 0.80 | HPGD (0.42) | ALDH1A1SMN1; SMN2SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL27572133 | 0.79 | SLC6A2 (0.55) | SLC18A3ALDH1A1SMN1; SMN2SLC6A2SLC6A3 | |
| SCHEMBL29557795 | 0.79 | KDM1A (0.38) | MAP1LC3BALDH1A1LMNAATMSLC6A2 | |
| SCHEMBL29558540 | 0.79 | SLC6A2 (0.55) | SLC18A3ALDH1A1SMN1; SMN2SLC6A2SLC6A3 | |
| SCHEMBL8288153 | 0.79 | ESR2 (0.50) | ALDH1A1MAPTHTTCYP2D6 | |
| SCHEMBL27546048 | 0.79 | DRD2 (0.45) | ALDH1A1MAPTSMN1; SMN2RAB9ATDP1 | |
| SCHEMBL35975 | 0.78 | SLC18A3 (0.45) | SLC18A3MAPTCYP2D6 | |
| SCHEMBL29557767 | 0.78 | SLC18A3 (0.45) | SLC18A3MAPTCYP2D6 | |
| SCHEMBL28304250 | 0.78 | SLC18A3 (0.45) | SLC18A3MAPTCYP2D6 | |
| SCHEMBL4069248 | 0.76 | SLC18A3 (0.44) | SLC18A3MAP1LC3BALDH1A1MAPTTP53 |
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-114057765-A | 3-aryl-4-amido-bicyclo [4,5,0] hydroxamic acids as HDAC inhibitors | 瓦洛健康股份有限公司 | 2022-02-18 | — | — | CN | disclosed |