Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 7/20 | 0.59 |
| ▸ | PIM1 | P11309 | 4/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 4/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.37 |
| ▸ | CLK2 | P49760 | 2/20 | 0.37 |
| ▸ | CLK3 | P49761 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826167 | 0.90 | ATR (0.57) | ATRPIM1PIM2PIM3HSD17B10 | |
| SCHEMBL16420463 | 0.89 | ATR (0.73) | ATRPIM1PIM2CYP1A2HSD17B10 | |
| SCHEMBL17826113 | 0.82 | ATR (0.52) | ATR | |
| SCHEMBL16420575 | 0.79 | ATR (0.73) | ATR | |
| SCHEMBL17826204 | 0.78 | ATR (0.56) | ATRALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL17826140 | 0.78 | ATR (0.53) | ATRPIM1PIM2ALDH1A1KDM4E | |
| SCHEMBL16420714 | 0.77 | ATR (0.73) | ATRPIM1PIM2PIM3 | |
| SCHEMBL17826112 | 0.77 | ATR (0.55) | ATRPIM1PIM2KDM4EGSK3B | |
| SCHEMBL17826117 | 0.76 | ATR (0.57) | ATRALDH1A1KDM4EHPGDGSK3B | |
| SCHEMBL17826123 | 0.75 | ATR (0.57) | ATRPIM1PIM2PIM3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |