Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL17682131 | 0.94 | TRPA1 (0.34) | TRPA1LMNAALDH1A1POLBRORC | |
| SCHEMBL19601360 | 0.83 | TRPA1 (0.36) | TRPA1LMNAALDH1A1POLB | |
| SCHEMBL17682130 | 0.80 | TRPA1 (0.48) | TRPA1 | |
| SCHEMBL17682140 | 0.80 | TRPA1 (0.50) | TRPA1 | |
| SCHEMBL17682323 | 0.79 | TRPA1 (0.37) | TRPA1LMNA | |
| SCHEMBL17682319 | 0.77 | TRPA1 (0.36) | TRPA1LMNAALDH1A1POLB | |
| SCHEMBL19607831 | 0.76 | TRPA1 (0.47) | TRPA1 | |
| SCHEMBL17682128 | 0.75 | ADORA2B (0.50) | LMNAPOLB | |
| SCHEMBL17682160 | 0.75 | ADORA2B (0.50) | LMNAPOLB | |
| SCHEMBL17682155 | 0.75 | ADORA2B (0.50) | LMNAPOLB |
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-3205652-A1 | HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF | Medshine Discovery Inc. (CN) | 2017-08-16 | — | — | EP | disclosed |
| WO-2017071606-A1 | MEDICAL USE OF HYDROXYL PURINE COMPOUND | 南京明德新药研发股份有限公司 | 2017-05-04 | — | — | WO | disclosed |
| WO-2016054971-A1 | HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF | 南京明德新药研发股份有限公司 | 2016-04-14 | — | — | WO | disclosed |