Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30969397 | 0.77 | ABCG2 (0.33) | ABCG2HTR2AALDH1A1SIRT2SIRT1 | |
| SCHEMBL17069064 | 0.77 | ABCG2 (0.44) | TRPA1ABCG2NPC1RAB9ACYP11B1 | |
| SCHEMBL29361235 | 0.73 | ABCG2 (0.39) | ABCG2ALDH1A1TSHR | |
| SCHEMBL7481318 | 0.73 | ABCG2 (0.39) | ABCG2ALDH1A1TSHR | |
| SCHEMBL6955296 | 0.73 | ABCG2 (0.39) | ABCG2ALDH1A1TSHR | |
| SCHEMBL31634143 | 0.73 | ABCG2 (0.39) | ABCG2HTR2ATSHR | |
| SCHEMBL12043582 | 0.73 | MAP3K14 (0.41) | ABCG2KDM4EALDH1A1TSHR | |
| SCHEMBL14304553 | 0.73 | ITGB2 (0.39) | TRPA1NPC1RAB9ATSHR | |
| SCHEMBL6928146 | 0.73 | ABCG2 (0.39) | ABCG2TSHR | |
| SCHEMBL23668349 | 0.70 | ABCG2 (0.37) | ABCG2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010532-A1 | TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS | Glaxo Group Limited (GB) | 2009-01-07 | — | — | EP | claimed |
| WO-2007122258-A1 | TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS | GLAXO GROUP LIMITED (GB) | 2007-11-01 | — | — | WO | claimed |
| CN-116180112-A | Method for electrochemical synthesis of aryl nitrile by using dialkyl aryl phosphate | 河南大学 | 2023-05-30 | — | — | CN | disclosed |