Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 4/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | MGLL | Q99685 | 3/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | PARK7 | Q99497 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28414999 | 0.86 | CES1 (0.39) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28531963 | 0.81 | CES1 (0.47) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL3016200 | 0.78 | PARK7 (0.68) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28417285 | 0.78 | CES1 (0.65) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28606638 | 0.78 | CES1 (0.65) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28527361 | 0.76 | CES1 (0.43) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL18256570 | 0.75 | CES1 (0.45) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28525910 | 0.75 | CES1 (0.43) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL28422408 | 0.74 | PARK7 (0.32) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL3020410 | 0.73 | CES1 (0.67) | CDC25ACES1ALDH1A1ALDH2ALDH3A1 |
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-111349104-B | Organic small-molecule semiconductor material containing rhodanine fused isatin and preparation method and application thereof | 东华大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-111349104-A | Organic small-molecule semiconductor material containing rhodanine fused (analogous) isatin and preparation method and application thereof | 东华大学 | 2020-06-30 | — | — | CN | disclosed |