Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.45 |
| ▸ | FEN1 | P39748 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 4/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3574491 | 0.90 | CES2 (0.45) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL3574492 | 0.90 | CES2 (0.45) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL2035494 | 0.79 | ALDH1A1 (0.50) | ALDH1A1RAB9ANPC1MAPTKDM4E | |
| SCHEMBL1416876 | 0.79 | ALDH1A1 (0.58) | CES2CES1ALDH1A1POLBSMO | |
| SCHEMBL1416877 | 0.79 | ALDH1A1 (0.58) | CES2CES1ALDH1A1POLBSMO | |
| SCHEMBL3559999 | 0.78 | CES2 (0.47) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL3560002 | 0.78 | CES2 (0.47) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL3570944 | 0.77 | NPC1 (0.44) | CES2CES1ALDH1A1POLBSMO | |
| SCHEMBL13504569 | 0.77 | NPC1 (0.44) | CES2CES1ALDH1A1POLBSMO | |
| SCHEMBL3573718 | 0.76 | CES2 (0.41) | CES2CES1ALDH1A1POLBSMO |
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-110642837-B | Pyridine amide compound containing triazole or quinolinone structure and application thereof | 江西科技师范大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-110642837-A | Pyridine amide compound containing triazole or quinolinone structure and application thereof | 江西科技师范大学 | 2020-01-03 | — | — | CN | disclosed |