Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1008775 | 0.89 | HSP90AA1 (0.40) | GRM2RIPK1TLR7HSP90AA1HSP90AB1 | |
| SCHEMBL1008350 | 0.86 | KDM4E (0.45) | TLR7DHFRKDM4E | |
| SCHEMBL1006690 | 0.86 | TLR7 (0.42) | GRM2TLR7DHFR | |
| SCHEMBL1007828 | 0.84 | ROCK1 (0.50) | TLR7HSP90AA1HSP90AB1DHFRALDH1A1 | |
| SCHEMBL1007451 | 0.83 | KCNH2 (0.40) | TLR7HSP90AA1HSP90AB1DHFRKDM4E | |
| SCHEMBL1063172 | 0.83 | TLR8 (0.49) | TLR7 | |
| SCHEMBL1008751 | 0.82 | DHFR (0.37) | GRM2TLR7DHFR | |
| SCHEMBL1056691 | 0.80 | NPC1 (0.42) | GRM2TLR7DHFRKDM4EHTT | |
| SCHEMBL1006427 | 0.80 | TLR7 (0.43) | TLR7HSP90AA1HSP90AB1DHFRLMNA | |
| SCHEMBL1008137 | 0.79 | HSP90AA1 (0.35) | GRM2TLR7HSP90AA1HSP90AB1DHFR |
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-2268618-A1 | COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS | IRM LLC (BM) | 2011-01-05 | — | — | EP | claimed |
| WO-2009111337-A1 | COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS | IRM LLC (BM) | 2009-09-11 | — | — | WO | claimed |
| EP-2558069-A1 | BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF | Novartis AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011130379-A1 | BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF | NOVARTIS AG (CH) | 2011-10-20 | — | — | WO | disclosed |