Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16310207 | 0.84 | CYP19A1 (0.54) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL6289952 | 0.84 | CYP19A1 (0.54) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL19280735 | 0.84 | CYP19A1 (0.54) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL9746473 | 0.83 | CYP19A1 (0.52) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL9746014 | 0.83 | CYP19A1 (0.52) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL1374021 | 0.83 | CYP19A1 (0.67) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL31168160 | 0.83 | CYP19A1 (0.67) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL5145150 | 0.83 | CYP19A1 (0.67) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL13908822 | 0.81 | CYP19A1 (0.65) | CYP19A1MAOBALDH1A1HPGDAR | |
| SCHEMBL4581525 | 0.79 | CYP19A1 (0.65) | CYP19A1MAOBALDH1A1HPGDAR |
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 |
|---|---|---|---|---|---|---|---|
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |