Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22268457 | 0.97 | ABCG2 (0.40) | ABCG2CHEK1ALDH1A1HSD17B10KDM4E | |
| SCHEMBL22268550 | 0.94 | CHEK1 (0.40) | ABCG2CHEK1KMT2AFFAR1 | |
| SCHEMBL22268596 | 0.94 | ABCG2 (0.38) | ABCG2CHEK1MEN1KMT2AATM | |
| SCHEMBL22268543 | 0.93 | ABCG2 (0.42) | ABCG2CHEK1ALDH1A1HSD17B10MEN1 | |
| SCHEMBL22268469 | 0.92 | CHEK1 (0.36) | ABCG2CHEK1ALDH1A1TP53 | |
| SCHEMBL22268475 | 0.91 | ABCG2 (0.39) | ABCG2ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL20114543 | 0.91 | CHEK1 (0.36) | ABCG2CHEK1ALDH1A1HSD17B10MEN1 | |
| SCHEMBL22268548 | 0.90 | CHEK1 (0.34) | ABCG2CHEK1 | |
| SCHEMBL22268465 | 0.90 | ABCG2 (0.39) | ABCG2ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL22268549 | 0.89 | ABCG2 (0.35) | ABCG2CHEK1ALDH1A1HSD17B10MEN1 |
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-3392247-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-07-29 | — | — | EP | disclosed |