Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | CYP46A1 | Q9Y6A2 | 9/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MELK | Q14680 | 2/20 | 0.41 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 2/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL31005773 | 0.76 | CYP3A4 (0.52) | KDM4EALDH1A1HSD17B10CHEK1CYP3A4 | |
| SCHEMBL17061682 | 0.76 | CYP3A4 (0.49) | KDM4EALDH1A1HSD17B10CHEK1CYP3A4 | |
| SCHEMBL18228362 | 0.69 | CYP3A4 (0.54) | CYP3A4BCL2A1ATR | |
| SCHEMBL15770645 | 0.68 | MAPT (0.63) | KDM4EALDH1A1HSD17B10CYP3A4BCL2A1 | |
| SCHEMBL16039371 | 0.68 | ADRA2C (0.58) | KDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL17180151 | 0.68 | CYP46A1 (0.74) | KDM4EALDH1A1CYP46A1ATR | |
| SCHEMBL17222774 | 0.68 | CYP46A1 (0.63) | CYP46A1 | |
| SCHEMBL28332919 | 0.67 | CYP3A4 (0.51) | CYP3A4MELKBCL2A1 | |
| SCHEMBL31448328 | 0.67 | CHEK1 (0.60) | CHEK1MELKATR | |
| SCHEMBL23846557 | 0.66 | F7 (0.54) | MKNK1MKNK2 |
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-104903325-A | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA | 2015-09-09 | — | — | CN | disclosed |