Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGAV | P06756 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL28858177 | 0.84 | TSHR (0.53) | FFAR3CES2CES1HPGDITGB3 | |
| SCHEMBL18084181 | 0.82 | TSHR (0.53) | HPGDPOLBMAPTTSHRALDH1A1 | |
| Methyl Alcohol SCHEMBL6113311 | 0.79 | TSHR (0.50) | HPGDPOLBTSHRATMALDH1A1 | |
| SCHEMBL98357 | 0.79 | — | — | |
| SCHEMBL29352382 | 0.79 | — | — | |
| Propionic Acid SCHEMBL9716682 | 0.78 | FFAR3 (0.46) | FFAR3CES2CES1SMN1; SMN2MAPT | |
| Iodobenzene SCHEMBL29012287 | 0.78 | FFAR3 (0.50) | FFAR3CES2CES1SMN1; SMN2MAPT | |
| Orthocresol SCHEMBL11464146 | 0.77 | AKR1B1 (0.48) | FFAR3CES2CES1HPGDITGB3 | |
| SCHEMBL1314055 | 0.77 | — | — | |
| SCHEMBL6131755 | 0.77 | — | — |
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-113372184-B | Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy | 武汉大学 | 2023-08-18 | — | — | CN | disclosed |