Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 3/20 | 0.39 |
| ▸ | HEXA | P06865 | 1/20 | 0.39 |
| ▸ | HEXB | P07686 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL789402 | 0.78 | CYP1A2 (0.41) | CYP1A1CYP1A2CYP1B1DHFRHEXA | |
| SCHEMBL790933 | 0.78 | APP (0.47) | CYP1A1CYP1A2CYP1B1DHFRHEXA | |
| SCHEMBL790753 | 0.76 | CYP1A2 (0.37) | CYP1A1CYP1A2CYP1B1DHFRHEXA | |
| SCHEMBL790609 | 0.75 | LMNA (0.48) | DHODH | |
| SCHEMBL790759 | 0.75 | KDM4E (0.47) | KDM4EALDH1A1 | |
| SCHEMBL27556561 | 0.73 | CYP1A1 (0.69) | CYP1A1CYP1A2CYP1B1MAPTALDH1A1 | |
| SCHEMBL29058866 | 0.69 | ESR1 (0.64) | CYP1A1CYP1A2CYP1B1KDM4EMAPT | |
| SCHEMBL16645243 | 0.68 | ESR1 (0.43) | CYP1A2KDM4EMAPTALDH1A1GAA | |
| SCHEMBL28041367 | 0.67 | KDM4E (0.50) | CYP1A1CYP1A2CYP1B1KDM4EMAPT | |
| SCHEMBL12974183 | 0.66 | DHODH (0.47) | KDM4EMAPTTDP1ALDH1A1GAA |
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 |