Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 2/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592619 | 0.88 | ACKR3 (0.39) | ACKR3SMYD3KCNH2DRD2DRD4 | |
| SCHEMBL4592403 | 0.85 | ACKR3 (0.55) | ACKR3KDM4EPKM | |
| SCHEMBL3448647 | 0.85 | ACKR3 (0.55) | ACKR3KDM4EPKM | |
| SCHEMBL3448652 | 0.85 | ACKR3 (0.55) | ACKR3KDM4EPKM | |
| SCHEMBL4592841 | 0.81 | GAA (0.49) | ACKR3NPC1KDM4E | |
| SCHEMBL3447821 | 0.75 | ACKR3 (0.56) | ACKR3KCNH2KDM4EPKM | |
| SCHEMBL3447823 | 0.75 | ACKR3 (0.56) | ACKR3KCNH2KDM4EPKM | |
| SCHEMBL4592664 | 0.75 | ACKR3 (0.56) | ACKR3KCNH2KDM4EPKM | |
| SCHEMBL4592552 | 0.75 | F10 (0.52) | ACKR3 | |
| SCHEMBL8259423 | 0.75 | EP300 (0.47) | SMYD3 |
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-1877404-A2 | NOVEL CYCLIC AMINES | F. Hoffmann-Roche AG (CH) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006114401-A2 | NOVEL CYCLIC AMINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | WO | disclosed |