Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | EIF4E | P06730 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL790084 | 0.85 | JAK2 (0.48) | JAK2HPGDATRKCNH2MKNK1 | |
| SCHEMBL790839 | 0.85 | ADORA2A (0.49) | HPGDADORA2ACDK1KDM4EALDH1A1 | |
| SCHEMBL806789 | 0.81 | PIK3CD (0.50) | JAK2HPGDATRKCNH2PIK3CD | |
| SCHEMBL789385 | 0.77 | BMPR1B (0.45) | JAK2HPGDATRKCNH2PIK3CD | |
| SCHEMBL790759 | 0.76 | KDM4E (0.47) | HPGDADORA2APIK3CDPIK3CAKDM4E | |
| SCHEMBL807212 | 0.75 | PIK3CD (0.46) | JAK2KCNH2PIK3CDPIK3CAMTOR | |
| SCHEMBL807280 | 0.74 | PIK3CD (0.50) | KCNH2PIK3CDPIK3CAMTORALDH1A1 | |
| SCHEMBL10277681 | 0.72 | LRRK2 (0.47) | JAK2ATRKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL790716 | 0.69 | MAPT (0.43) | HPGDADORA2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL109082 | 0.69 | PHGDH (0.69) | HPGDKDM4EALDH1A1SMN1; SMN2 |
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 |