Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.36 |
| ▸ | PDE4A | P27815 | 6/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042706 | 0.82 | ALDH1A1 (0.43) | ALDH1A1CNR2MTOR | |
| SCHEMBL20042974 | 0.81 | MTOR (0.49) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20042799 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CNR2IDH1 | |
| SCHEMBL20042800 | 0.79 | CNR1 (0.45) | ALDH1A1MTOR | |
| SCHEMBL20042924 | 0.77 | CNR2 (0.58) | CNR2PDE4BMTOR | |
| SCHEMBL20042806 | 0.76 | CNR1 (0.47) | ALDH1A1 | |
| SCHEMBL20042764 | 0.75 | CNR1 (0.49) | ALDH1A1 | |
| SCHEMBL20042718 | 0.75 | CNR2 (0.40) | ALDH1A1CNR2MTOR | |
| SCHEMBL20042761 | 0.72 | MTOR (0.44) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20042816 | 0.71 | CNR1 (0.45) | ALDH1A1CNR2 |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |