Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.41 |
| ▸ | PARK7 | Q99497 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531963 | 0.87 | CES1 (0.47) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL18954631 | 0.83 | PARK7 (0.58) | CES1ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL18954538 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MEN1POLBMAPTKMT2A | |
| SCHEMBL18954678 | 0.79 | CASP3 (0.45) | CES1ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL18954838 | 0.79 | CUL4A (0.40) | ALDH1A1ALDH2ALDH3A1PARK7CA12 | |
| SCHEMBL28525910 | 0.78 | CES1 (0.43) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL18954755 | 0.77 | CASP3 (0.46) | CES1ALDH1A1PARK7CA12CA1 | |
| SCHEMBL18954712 | 0.76 | ALDH1A1 (0.47) | ALDH1A1PARK7MEN1MAPTKMT2A | |
| SCHEMBL28892771 | 0.76 | CDC25A (0.55) | CES1CDC25AALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28546572 | 0.74 | PARK7 (0.69) | CES1CDC25AALDH1A1ALDH2ALDH3A1 |
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 |