Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL21242920 | 0.84 | ADORA2A (0.39) | ADORA3ADORA2AADORA1ADORA2BCDK1 | |
| SCHEMBL13727333 | 0.82 | ADORA2A (0.41) | ADORA3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL13233221 | 0.77 | ADORA2A (0.49) | ADORA3ADORA2AADORA1ADORA2BTLR7 | |
| SCHEMBL13091617 | 0.71 | CDK1 (0.38) | ADORA3ADORA2AADORA1ADORA2BKDM4E | |
| SCHEMBL21242911 | 0.67 | ADORA2A (0.37) | ADORA3ADORA2AADORA1ADORA2BCDK1 | |
| SCHEMBL10309720 | 0.66 | ADORA1 (0.40) | ADORA3ADORA2AADORA1ADORA2BTLR7 | |
| SCHEMBL10121588 | 0.63 | ADORA2A (0.38) | ADORA3ADORA2AADORA1ADORA2BTLR7 | |
| SCHEMBL5391550 | 0.63 | CDK1 (0.47) | ADORA3ADORA2AADORA1ADORA2BTLR7 | |
| SCHEMBL12028042 | 0.61 | ADORA2A (0.59) | ADORA3ADORA2AADORA1ADORA2BCDK1 | |
| SCHEMBL20759785 | 0.61 | ADORA3 (0.37) | ADORA3ADORA2AADORA1ADORA2BCDK1 |
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-2018071531-A1 | HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2018-04-19 | — | — | WO | disclosed |