Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13550397 | 0.82 | CYP19A1 (0.36) | CYP19A1 | |
| SCHEMBL12369613 | 0.81 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL15237592 | 0.75 | CYP19A1 (0.32) | CYP19A1 | |
| SCHEMBL401391 | 0.70 | CYP19A1 (0.53) | CYP19A1SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL3587455 | 0.68 | CYP19A1 (0.37) | CYP19A1 | |
| SCHEMBL406304 | 0.68 | CYP19A1 (0.55) | CYP19A1SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL23771912 | 0.68 | CYP19A1 (0.35) | CYP19A1 | |
| SCHEMBL19302676 | 0.68 | CYP19A1 (0.35) | CYP19A1 | |
| SCHEMBL20729403 | 0.68 | CYP19A1 (0.35) | CYP19A1 | |
| SCHEMBL20031996 | 0.68 | CYP19A1 (0.35) | CYP19A1 |
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-2012058130-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |