Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.56 |
| ▸ | NOS3 | P29474 | 1/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30785363 | 0.74 | ACHE (0.55) | CYP19A1NOS3ACHELMNAMETAP1 | |
| SCHEMBL2345374 | 0.74 | ACHE (0.55) | CYP19A1NOS3ACHELMNAMETAP1 | |
| SCHEMBL4976861 | 0.73 | LMNA (0.48) | CYP19A1NOS3NOS2ACHELMNA | |
| SCHEMBL13267881 | 0.72 | CYP19A1 (1.00) | CYP19A1 | |
| SCHEMBL21636070 | 0.71 | ACHE (0.40) | CYP19A1ACHEMETAP1 | |
| SCHEMBL20317375 | 0.70 | ACHE (0.42) | CYP19A1ACHEMETAP1ALDH1A1 | |
| SCHEMBL21408186 | 0.70 | IDO1 (0.57) | LMNAALDH1A1 | |
| SCHEMBL29865183 | 0.70 | ACHE (0.59) | CYP19A1ACHEMETAP1 | |
| SCHEMBL1240296 | 0.70 | ACHE (0.59) | CYP19A1ACHEMETAP1 | |
| SCHEMBL14939812 | 0.69 | CYP19A1 (0.48) | CYP19A1NOS3ACHEMETAP1 |
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-2017223160-A1 | SUBSTITUTED ISOSELENAZOLONE ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS | THE UNIVERSITY OF TOLEDO (US) | 2017-12-28 | — | — | WO | disclosed |