Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL10001246 | 0.86 | ALDH1A1 (0.37) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL2925268 | 0.83 | — | — | |
| SCHEMBL25507631 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL12477350 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL16556573 | 0.80 | ALDH1A1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL12836893 | 0.80 | ALDH1A1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL11090206 | 0.80 | ALDH1A1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL25907514 | 0.78 | ALDH1A1 (0.33) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL18538616 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL13078568 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012046062-A1 | USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS | SHIRE, LLC (US) | 2012-04-12 | — | — | WO | disclosed |
| WO-2010112942-A1 | NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC (US) | 2010-10-07 | — | — | WO | disclosed |