Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3351170 | 1.00 | IRAK4 (0.47) | IRAK4AURKARPS6KB1AURKBALOX5 | |
| SCHEMBL4786305 | 1.00 | IRAK4 (0.47) | IRAK4AURKARPS6KB1AURKBALOX5 | |
| SCHEMBL20425249 | 0.90 | ALDH1A1 (0.49) | IRAK4AURKARPS6KB1AURKBALOX5 | |
| SCHEMBL4560226 | 0.87 | BCAT2 (0.57) | IRAK4AURKARPS6KB1AURKBPARP1 | |
| SCHEMBL3646159 | 0.86 | ALOX5 (0.45) | IRAK4AURKARPS6KB1ALOX5PARP1 | |
| SCHEMBL17597048 | 0.85 | CA1 (0.44) | IRAK4AURKARPS6KB1AURKBPARP1 | |
| SCHEMBL3686675 | 0.84 | MAPT (0.44) | IRAK4ALOX5PARP1KDM4EALDH1A1 | |
| SCHEMBL5968855 | 0.81 | IRAK4 (0.47) | IRAK4AURKARPS6KB1AURKBALOX5 | |
| SCHEMBL6266294 | 0.81 | IRAK4 (0.47) | IRAK4AURKARPS6KB1AURKBALOX5 | |
| SCHEMBL3663651 | 0.81 | IRAK4 (0.47) | IRAK4AURKARPS6KB1AURKBALOX5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | claimed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | claimed |
| EP-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |