Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 12/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL17826137 | 0.91 | ATR (0.43) | ATR | |
| SCHEMBL17826108 | 0.91 | ATR (0.46) | ATRNPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL17826131 | 0.91 | ATR (0.53) | ATRNPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL17826114 | 0.89 | ATR (0.52) | ATRNPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL17826190 | 0.88 | ATR (0.56) | ATRNPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL17826161 | 0.87 | ATR (0.53) | ATRNPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL17826132 | 0.87 | ATR (0.49) | ATR | |
| SCHEMBL17826188 | 0.86 | ATR (0.42) | ATR | |
| SCHEMBL16420746 | 0.86 | ATR (0.68) | ATR | |
| SCHEMBL17826118 | 0.85 | ATR (0.55) | ATRNPC1RAB9AHPGDSMN1; SMN2 |
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 |