Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 5/20 | 0.34 |
| ▸ | ACACA | Q13085 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 5/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | CKS1B | P61024 | 2/20 | 0.31 |
| ▸ | SKP1 | P63208 | 2/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2635700 | 0.83 | ATR (0.43) | AKT1ACACBACACACYP1A2CYP3A4 | |
| SCHEMBL2635099 | 0.78 | ATR (0.39) | ATR | |
| SCHEMBL2636323 | 0.77 | ATR (0.33) | ATR | |
| SCHEMBL2636173 | 0.71 | DGAT1 (0.31) | — | |
| SCHEMBL2635800 | 0.70 | ATR (0.34) | ATR | |
| SCHEMBL505922 | 0.69 | ATR (0.48) | ATR | |
| SCHEMBL2635325 | 0.68 | DGAT1 (0.32) | — | |
| SCHEMBL506093 | 0.68 | ATR (0.59) | ATR | |
| SCHEMBL506018 | 0.68 | ATR (0.51) | ATR | |
| SCHEMBL506787 | 0.67 | ATR (0.45) | ATRPDPK1 |
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-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |