Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 9/20 | 0.48 |
| ▸ | RAB9A | P51151 | 9/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420494 | 0.87 | ATR (0.66) | ATRNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL17826181 | 0.87 | ATR (0.52) | ATRNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL17826108 | 0.86 | ATR (0.46) | ATRNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL16420547 | 0.85 | NPC1 (0.61) | ATRNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL13063210 | 0.83 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL16420736 | 0.82 | ATR (0.67) | ATRNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL16420459 | 0.81 | ATR (0.58) | ATRNPC1RAB9A | |
| SCHEMBL17826100 | 0.81 | CHEK1 (0.46) | ATRNPC1RAB9APOLBTSHR | |
| SCHEMBL17826102 | 0.79 | ATR (0.55) | ATRNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL16420472 | 0.79 | NPC1 (0.69) | ATRNPC1RAB9ASMN1; SMN2HPGD |
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 |