Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 11/20 | 0.49 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16518417 | 0.90 | ATR (0.50) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL560074 | 0.85 | ATR (0.52) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL560111 | 0.84 | ATR (0.49) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL10166361 | 0.75 | ATR (0.52) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL560124 | 0.75 | ATR (0.52) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL560894 | 0.74 | ATR (0.52) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL560527 | 0.74 | ATR (0.52) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL560486 | 0.74 | ATR (0.51) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL10166538 | 0.74 | ATR (0.57) | ATRHPSEFLT3KDM4EALDH1A1 | |
| SCHEMBL560220 | 0.74 | ATR (0.53) | ATRHPSEFLT3KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2569289-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143419-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |