Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL16271276 | 1.00 | CYP19A1 (0.41) | CYP19A1PTPN1ABHD6AGTR2PDE5A | |
| SCHEMBL29570670 | 1.00 | CYP19A1 (0.41) | CYP19A1PTPN1ABHD6AGTR2PDE5A | |
| SCHEMBL31652041 | 1.00 | CYP19A1 (0.41) | CYP19A1PTPN1ABHD6AGTR2PDE5A | |
| SCHEMBL32677218 | 0.90 | CYP19A1 (0.45) | CYP19A1PTPN1ABHD6AGTR2PDE5A | |
| SCHEMBL32676636 | 0.90 | CYP19A1 (0.45) | CYP19A1PTPN1ABHD6AGTR2PDE5A | |
| SCHEMBL16271289 | 0.90 | PTPN1 (0.53) | PTPN1ABHD6 | |
| SCHEMBL32676746 | 0.90 | CYP19A1 (0.45) | CYP19A1PTPN1ABHD6AGTR2PDE5A | |
| SCHEMBL30069424 | 0.90 | PTPN1 (0.53) | PTPN1ABHD6 | |
| SCHEMBL20483181 | 0.90 | PTPN1 (0.53) | PTPN1ABHD6 | |
| SCHEMBL30069422 | 0.90 | PTPN1 (0.53) | PTPN1ABHD6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0421436-A2 | Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |