Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2454395 | 1.00 | ALDH1A1 (0.51) | ALDH1A1LMNAGLAATMPOLB | |
| SCHEMBL2454516 | 0.85 | MEN1 (0.37) | ALDH1A1LMNAATMCYP2C9CYP2C19 | |
| SCHEMBL2489651 | 0.85 | MEN1 (0.37) | ALDH1A1LMNAATMCYP2C9CYP2C19 | |
| SCHEMBL2452733 | 0.81 | — | — | |
| SCHEMBL336767 | 0.78 | LMNA (0.45) | LMNA | |
| SCHEMBL337364 | 0.78 | LMNA (0.45) | LMNA | |
| SCHEMBL2454396 | 0.71 | ATM (0.55) | ALDH1A1LMNAGLAATMPOLB | |
| SCHEMBL7983508 | 0.71 | DPP7 (0.40) | KMT2A | |
| SCHEMBL20335018 | 0.70 | ALDH1A1 (0.68) | ALDH1A1LMNAGLAATMPOLB | |
| SCHEMBL20335019 | 0.70 | ALDH1A1 (0.68) | ALDH1A1LMNAGLAATMPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2366700-A1 | Pyrrolidine-thioxopyrimidinone/thiohydantoin organocatolysts | National and Kapodistrian Universty of Athens (GR) | 2011-09-21 | — | — | EP | disclosed |