Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL18936028 | 0.83 | TRPA1 (0.44) | TRPA1ESR2TSHRCYP11B1CYP11B2 | |
| SCHEMBL18936192 | 0.77 | TRPA1 (0.40) | TRPA1ESR2TSHRCYP11B1CYP11B2 | |
| SCHEMBL9618582 | 0.76 | — | — | |
| SCHEMBL17069064 | 0.73 | ABCG2 (0.44) | TRPA1TSHRCYP11B1CYP11B2 | |
| SCHEMBL7128137 | 0.73 | ITGB2 (0.44) | TRPA1CYP11B1CYP11B2HTTMTNR1A | |
| SCHEMBL17289161 | 0.73 | TRPA1 (0.40) | TRPA1ESR2TSHRCA1CA2 | |
| SCHEMBL24010287 | 0.71 | TRPA1 (0.56) | TRPA1ESR2TSHRCA1CA2 | |
| SCHEMBL728135 | 0.70 | MTNR1A (0.34) | MTNR1A | |
| SCHEMBL15320700 | 0.67 | TRPA1 (0.38) | TRPA1HTT | |
| SCHEMBL18112905 | 0.67 | TRPA1 (0.51) | TRPA1ESR2TSHRAR |
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 |