Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 5/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | TEK | Q02763 | 1/20 | 0.33 |
| ▸ | ROS1 | P08922 | 2/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1666505 | 0.80 | PTPN11 (0.50) | CYP19A1CYP2A6ELANEPIK3CA | |
| SCHEMBL8256564 | 0.71 | GSK3B (0.39) | KDR | |
| SCHEMBL1666246 | 0.67 | PTPN11 (0.45) | KDREPHB4CYP2A6CYP3A4 | |
| SCHEMBL11274525 | 0.67 | CYP19A1 (0.63) | CYP19A1CYP2A6PIK3CACYP3A4 | |
| SCHEMBL12572864 | 0.66 | KIT (0.64) | PIK3CAKIT | |
| SCHEMBL22838097 | 0.64 | CYP2C9 (0.32) | — | |
| SCHEMBL1666756 | 0.62 | L3MBTL1 (0.48) | — | |
| SCHEMBL19937783 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL21014903 | 0.61 | NPC1 (0.31) | — | |
| SCHEMBL15344926 | 0.61 | ELANE (0.50) | KDRCYP2A6ELANENR4A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2332940-B1 | Azaindoles useful as inhibitors of JAK and other protein kinases | VERTEX PHARMA (US) | 2012-10-31 | — | — | EP | disclosed |