Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3914895 | 0.90 | CHRM3 (0.40) | CHRM3FAAHDRD4CHRM4CCR3 | |
| SCHEMBL3925657 | 0.90 | CHRM3 (0.40) | CHRM3FAAHDRD4CHRM4CCR3 | |
| SCHEMBL3925615 | 0.87 | KDM4E (0.37) | CHRM3FAAHDRD4CHRM4CHRM2 | |
| SCHEMBL3916929 | 0.87 | CHRM3 (0.36) | CHRM3FAAHDRD4CHRM4CCR3 | |
| SCHEMBL3925417 | 0.86 | MEN1 (0.41) | CHRM3CHRM4KMT2A | |
| SCHEMBL1800614 | 0.86 | RORC (0.40) | CHRM3FAAHDRD4CHRM4CCR3 | |
| SCHEMBL4040064 | 0.85 | CHRM3 (0.39) | CHRM3FAAHDRD4CHRM4CCR3 | |
| SCHEMBL4038594 | 0.84 | P2RX7 (0.33) | CHRM4CHRM1GAAKMT2ACCR5 | |
| SCHEMBL1799605 | 0.84 | MAPK1 (0.46) | CHRM3FAAHMLNR | |
| SCHEMBL4037652 | 0.84 | CHRM3 (0.41) | CHRM3FAAHDRD4CHRM4CCR3 |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |