Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KLK3 | P07288 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13874174 | 0.81 | KEAP1 (0.49) | MKNK1MKNK2CYP11B1CYP2A6CYP19A1 | |
| SCHEMBL12777942 | 0.78 | NPC1 (0.47) | CYP19A1DYRK1AMAPT | |
| SCHEMBL570269 | 0.76 | TNF (0.46) | MKNK1MKNK2CYP11B1CYP2A6CYP19A1 | |
| SCHEMBL19937856 | 0.74 | PIK3CA (0.50) | MTORFYNPIK3CAKDR | |
| SCHEMBL21165960 | 0.73 | DYRK1A (0.38) | DYRK1A | |
| SCHEMBL3754419 | 0.72 | CYP2A6 (0.68) | MKNK1MKNK2CYP2A6CYP19A1FYN | |
| SCHEMBL31174412 | 0.72 | CYP2A6 (0.68) | MKNK1MKNK2CYP2A6CYP19A1FYN | |
| SCHEMBL2609419 | 0.72 | DYRK1A (0.45) | DYRK1AMAPT | |
| SCHEMBL16911662 | 0.72 | MAPT (0.46) | DYRK1AFYNMAPT | |
| SCHEMBL28815229 | 0.71 | DYRK1A (0.49) | CYP11B1DYRK1A |
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-2601192-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012018909-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-09 | — | — | WO | disclosed |