Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.43 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.43 |
| ▸ | ROS1 | P08922 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3630638 | 0.83 | SMN1; SMN2 (0.55) | GSK3AGSK3BSMN1; SMN2NPC1TP53 | |
| SCHEMBL4769045 | 0.78 | HDAC1 (0.48) | CYP3A4CYP2C9CYP2A6HDAC1SLC2A1 | |
| SCHEMBL4777383 | 0.77 | METAP1 (0.47) | KDRROS1CYP3A4CYP2C9HDAC1 | |
| SCHEMBL2240945 | 0.77 | GBA1 (0.54) | CYP3A4CYP2C9CYP2A6SLC2A1SMN1; SMN2 | |
| SCHEMBL2238098 | 0.77 | PTGDR (0.53) | CYP3A4CYP2C9CYP2A6SLC2A1SMN1; SMN2 | |
| SCHEMBL2242543 | 0.77 | CYP2C9 (0.42) | ROS1CYP3A4CYP2C9CYP2A6HDAC1 | |
| SCHEMBL4774987 | 0.77 | ADORA2A (0.46) | GSK3BROS1CYP3A4CYP2C9CYP2A6 | |
| SCHEMBL4765978 | 0.77 | HDAC1 (0.44) | ROS1CYP3A4CYP2C9CYP2A6HDAC1 | |
| SCHEMBL3627886 | 0.76 | SMN1; SMN2 (0.60) | GSK3AGSK3BROS1CYP3A4CYP2C9 | |
| SCHEMBL2240174 | 0.76 | CYP3A4 (0.42) | ROS1CYP3A4CYP2C9CYP2A6HDAC1 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |