Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 16/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL23619074 | 0.88 | MAPK1 (0.41) | PDE2AMAPK1IDO1KCNH2 | |
| SCHEMBL23619081 | 0.87 | MAPK1 (0.39) | PDE2AMAPK1IDO1KCNH2 | |
| SCHEMBL19864490 | 0.85 | PDE2A (0.37) | PDE2AMAPK1 | |
| SCHEMBL19859201 | 0.74 | CYP2C9 (0.37) | IDO1KCNH2CNR2 | |
| SCHEMBL23619077 | 0.73 | MAPK1 (0.41) | PDE2AMAPK1 | |
| SCHEMBL19864556 | 0.73 | ALDH1A1 (0.35) | IDO1KCNH2 | |
| SCHEMBL23619030 | 0.73 | RORC (0.41) | PDE2AMAPK1 | |
| SCHEMBL19864656 | 0.72 | MAPK1 (0.39) | PDE2AMAPK1 | |
| SCHEMBL19864560 | 0.72 | IDO1 (0.33) | IDO1KCNH2 | |
| SCHEMBL19864685 | 0.71 | MAPT (0.42) | — |
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-2018030550-A1 | HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-15 | — | — | WO | disclosed |