Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL7481312 | 0.71 | ALDH1A1 (0.33) | KDM4EALDH1A1CA1CA2 | |
| SCHEMBL27612514 | 0.69 | CYP2B6 (0.40) | TRPA1TSHRKDM4EALDH1A1CA1 | |
| SCHEMBL15320699 | 0.67 | TRPA1 (0.35) | TRPA1 | |
| SCHEMBL4237083 | 0.67 | DYRK1A (0.37) | TRPA1TSHR | |
| SCHEMBL286500 | 0.66 | TRPA1 (0.33) | TRPA1TSHRKDM4EALDH1A1CA1 | |
| SCHEMBL2965295 | 0.65 | KDM4E (0.36) | TRPA1KDM4EALDH1A1 | |
| SCHEMBL15320700 | 0.63 | TRPA1 (0.38) | TRPA1 | |
| SCHEMBL9618582 | 0.63 | — | — | |
| SCHEMBL4046834 | 0.63 | TRPA1 (0.44) | TRPA1TSHRCA1CA2 | |
| SCHEMBL7300186 | 0.62 | ITGB2 (0.35) | TRPA1TSHRKDM4EALDH1A1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |