Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29248022 | 1.00 | MAOA (0.46) | MAOAMAOBKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL8629342 | 0.80 | FBP1 (0.64) | MAOAMAOBKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL8629347 | 0.80 | FBP1 (0.64) | MAOAMAOBKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL21631226 | 0.78 | FBP1 (0.60) | ALDH1A1FBP1 | |
| SCHEMBL21631225 | 0.78 | FBP1 (0.60) | ALDH1A1FBP1 | |
| SCHEMBL29639038 | 0.76 | ALDH1A1 (0.53) | KDM4EALDH1A1L3MBTL1RELAPTGS1 | |
| SCHEMBL10049312 | 0.76 | ALDH1A1 (0.53) | KDM4EALDH1A1L3MBTL1RELAPTGS1 | |
| Benzene SCHEMBL29278546 | 0.74 | RELA (0.55) | KDM4EALDH1A1L3MBTL1RELAPTGS1 | |
| SCHEMBL6024464 | 0.74 | MAOA (0.41) | MAOAMAOBKDM4EALDH1A1L3MBTL1 | |
| SCHEMBL6024467 | 0.74 | MAOA (0.41) | MAOAMAOBKDM4EALDH1A1L3MBTL1 |
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-116655536-A | Class N 1 -aryl-3-fluoroalkyl-5-fluoropyrazole compound, and preparation method and application thereof | 天津大学 | 2023-08-29 | — | — | CN | disclosed |