Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.32 |
| ▸ | BRD2 | P25440 | 2/20 | 0.31 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.31 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CCL2 | P13500 | 1/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | KCNH3 | Q9ULD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL18308391 | 0.92 | BRD4 (0.31) | BRD4BRD2BRD3CACNA1ACHRNA1 | |
| SCHEMBL18308389 | 0.89 | MET (0.34) | CYP1A2PDE10A | |
| SCHEMBL18308334 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL18308342 | 0.76 | PDE2A (0.36) | — | |
| SCHEMBL18308333 | 0.75 | LCK (0.32) | — | |
| SCHEMBL18308505 | 0.75 | MAPT (0.34) | — | |
| SCHEMBL18308325 | 0.74 | KDM4E (0.35) | BRD4 | |
| SCHEMBL18308331 | 0.74 | RECQL (0.35) | CYP3A4CYP1A2PDE10A | |
| SCHEMBL18308506 | 0.72 | ALDH1A1 (0.37) | BRD4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18308509 | 0.72 | PLK1 (0.38) | PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016199943-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-12-15 | — | — | WO | disclosed |