Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.50 |
| ▸ | ERN1 | O75460 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22494969 | 0.88 | BACE1 (0.50) | BACE1ERN1CYP2A6HTTPABPC1 | |
| SCHEMBL13997 | 0.80 | PSMB5 (0.47) | BACE1ERN1CYP2A6HTTPABPC1 | |
| SCHEMBL8672 | 0.79 | CYP1A2 (0.57) | BACE1ERN1CYP2A6HTTKDM4E | |
| SCHEMBL807146 | 0.78 | TLR8 (0.55) | HTTKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL5775666 | 0.77 | BACE1 (0.57) | BACE1CYP2A6HTTPABPC1KDM4E | |
| SCHEMBL19330294 | 0.75 | ALDH1A1 (0.47) | BACE1ERN1CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL789778 | 0.74 | BACE1 (0.53) | BACE1HTTPABPC1KDM4EMEN1 | |
| SCHEMBL21988721 | 0.74 | BACE1 (0.53) | BACE1ERN1HTTPABPC1KDM4E | |
| SCHEMBL1632823 | 0.72 | ERN1 (0.52) | BACE1ERN1CYP2A6HTTPABPC1 | |
| SCHEMBL1162125 | 0.72 | ERN1 (0.56) | BACE1ERN1CYP2A6ALDH1A1PTPN1 |
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 2 patents. 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 |
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |