Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 1/20 | 0.49 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | ELOVL1 | Q9BW60 | 2/20 | 0.37 |
| ▸ | GCK | P35557 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | IDH2 | P48735 | 1/20 | 0.37 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13472107 | 0.80 | SMN1; SMN2 (0.54) | RAF1CYP17A1GSK3BDYRK1AMAPK14 | |
| SCHEMBL24108319 | 0.78 | MAPT (0.53) | RAF1ELOVL1GCKKCNH2IDH2 | |
| SCHEMBL23063188 | 0.78 | RAF1 (0.46) | RAF1ELOVL1GCKKCNH2IDH2 | |
| SCHEMBL6296539 | 0.78 | GSK3B (0.39) | PCSK9PTGER1CYP17A1GSK3BDYRK1A | |
| SCHEMBL28055517 | 0.77 | RAF1 (0.49) | RAF1PCSK9CYP17A1GSK3BDYRK1A | |
| SCHEMBL22842963 | 0.75 | GRIN2B (0.41) | GSK3BDYRK1A | |
| SCHEMBL30258809 | 0.75 | GRIN2B (0.41) | GSK3BDYRK1A | |
| SCHEMBL28542105 | 0.74 | GSK3B (0.39) | CYP17A1GSK3BDYRK1AATRBRD9 | |
| SCHEMBL24951108 | 0.72 | GSK3B (0.41) | PTGER1CYP17A1GSK3BDYRK1AATR | |
| SCHEMBL28556158 | 0.70 | PTGER1 (0.40) | PTGER1GSK3BDYRK1ABRD9PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| CN-112533913-A | Novel compounds | 英夫拉索姆有限公司 | 2021-03-19 | — | — | CN | disclosed |
| EP-2945938-B1 | 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS | HOFFMANN LA ROCHE (CH) | 2018-03-07 | — | — | EP | disclosed |