Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | DHFR | P00374 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CSF1R | P07333 | 2/20 | 0.47 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CDC25A | P30304 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10698612 | 0.78 | MPO (0.47) | CYP2D6 | |
| SCHEMBL11567058 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP2D6ATMPOLBDHFR | |
| SCHEMBL28362594 | 0.78 | DHFR (0.55) | ALDH1A1CYP2D6ATMPOLBDHFR | |
| SCHEMBL8376680 | 0.78 | DHFR (0.76) | DHFRCSF1RNTRK2NTRK1NTRK3 | |
| SCHEMBL28585742 | 0.76 | ALDH1A1 (0.64) | ALDH1A1CYP2D6ATMPOLBKMT2A | |
| SCHEMBL28528829 | 0.76 | ALDH1A1 (0.69) | ALDH1A1CYP2D6ATMPOLBDHFR | |
| SCHEMBL23612255 | 0.75 | ALDH1A1 (0.82) | ALDH1A1CYP2D6ATMDHFRNPSR1 | |
| SCHEMBL30055740 | 0.75 | ALDH1A1 (0.82) | ALDH1A1CYP2D6ATMDHFRNPSR1 | |
| SCHEMBL28802706 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP2D6ATMPOLBNPSR1 | |
| SCHEMBL23392698 | 0.75 | APP (0.59) | POLBKMT2ALMNA |
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-111943892-B | Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof | 上海中泽医药科技有限公司 | 2022-04-05 | — | — | CN | disclosed |