Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | CDC25A | P30304 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.45 |
| ▸ | PARK7 | Q99497 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28527361 | 0.87 | CES1 (0.43) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28525910 | 0.83 | CES1 (0.43) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28892771 | 0.81 | CDC25A (0.55) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28539851 | 0.79 | PARK7 (0.69) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28533459 | 0.79 | PARK7 (0.69) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28546572 | 0.79 | PARK7 (0.69) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28547202 | 0.79 | PARK7 (0.69) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28414999 | 0.78 | CES1 (0.39) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28547209 | 0.77 | PARK7 (0.71) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL14884754 | 0.76 | CUL4A (0.47) | CES1ALDH1A1ALDH2ALDH3A1PARK7 |
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-112538041-A | Bimolecular indole-2, 3-dione derivative and application thereof | 浙江大学 | 2021-03-23 | — | — | CN | claimed |