Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL790062 | 0.81 | APP (0.31) | — | |
| Ethylamine SCHEMBL790827 | 0.69 | IDO1 (0.36) | — | |
| SCHEMBL13783444 | 0.67 | CYP3A4 (0.46) | CYP3A4TSHRRECQL | |
| SCHEMBL21812018 | 0.67 | TSHR (0.60) | CYP3A4TSHRRECQLCYP1A1CYP1A2 | |
| SCHEMBL790036 | 0.67 | CSNK2A1 (0.41) | — | |
| SCHEMBL9422180 | 0.66 | NOS1 (0.41) | CYP3A4CYP1A2 | |
| SCHEMBL19230462 | 0.66 | NOS1 (0.41) | CYP3A4CYP1A2 | |
| SCHEMBL29644321 | 0.66 | NOS1 (0.44) | CYP1A2 | |
| SCHEMBL1297632 | 0.66 | NOS1 (0.44) | CYP1A2 | |
| SCHEMBL24463115 | 0.66 | KDM4E (0.54) | CYP3A4TSHRRECQL |
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-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |