Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBK | Q96KB5 | 14/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.35 |
| ▸ | MET | P08581 | 2/20 | 0.35 |
| ▸ | ATR | Q13535 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1371455 | 0.92 | PBK (0.42) | PBKDGAT1CHEK1CHEK2MET | |
| SCHEMBL1370431 | 0.84 | DGAT1 (0.39) | DGAT1 | |
| Hydrochloric Acid SCHEMBL1352610 | 0.81 | PBK (0.39) | PBKDGAT1MET | |
| SCHEMBL1370078 | 0.80 | ACKR3 (0.42) | — | |
| SCHEMBL1370574 | 0.78 | DGAT1 (0.36) | DGAT1 | |
| SCHEMBL1369607 | 0.78 | MEN1 (0.41) | DGAT1 | |
| SCHEMBL1696864 | 0.78 | JAK1 (0.39) | DGAT1 | |
| SCHEMBL1368820 | 0.77 | DGAT1 (0.35) | DGAT1 | |
| SCHEMBL1371116 | 0.77 | JAK2 (0.50) | DGAT1 | |
| SCHEMBL1696881 | 0.77 | JAK2 (0.38) | DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103003281-A | Pyrrolo [2, 3 - b] pyrazine - 7 - carboxamide derivatives and their use as jak and syk inhibitors | HOFFMANN LA ROCHE | 2013-03-27 | — | — | CN | disclosed |