Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 7/20 | 0.45 |
| ▸ | ACHE | P22303 | 8/20 | 0.43 |
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16553339 | 0.91 | ACHE (0.46) | PDE4DACHEBCHE | |
| SCHEMBL16552698 | 0.83 | ACHE (0.46) | PDE4DACHEBCHE | |
| SCHEMBL16552897 | 0.82 | PDE4D (0.46) | PDE4DACHEBCHE | |
| SCHEMBL16552745 | 0.80 | ACHE (0.47) | PDE4DACHEBCHE | |
| SCHEMBL16552901 | 0.79 | ACHE (0.48) | PDE4DACHEBCHE | |
| SCHEMBL21887645 | 0.79 | PDE4D (0.48) | PDE4DACHEBCHE | |
| SCHEMBL16552710 | 0.79 | ACHE (0.47) | PDE4DACHEBCHE | |
| SCHEMBL16561796 | 0.78 | PDE4D (0.47) | PDE4DACHEBCHE | |
| SCHEMBL16552580 | 0.78 | PDE4D (0.47) | PDE4DACHEBCHE | |
| SCHEMBL16552705 | 0.78 | ACHE (0.47) | PDE4DACHEBCHE |
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-3680237-A1 | PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS | Arrien Pharmaceuticals LLC (US) | 2020-07-15 | — | — | EP | disclosed |
| EP-3044223-B1 | 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS | ARRIEN PHARMACEUTICALS LLC (US) | 2020-04-01 | — | — | EP | disclosed |