Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.30 |
| ▸ | CES1 | P23141 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL4459602 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TDP1FFAR3TSHRCES2 | |
| SCHEMBL4459604 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TDP1FFAR3TSHRCES2 | |
| SCHEMBL4451616 | 0.80 | — | — | |
| SCHEMBL13936167 | 0.80 | — | — | |
| SCHEMBL4451614 | 0.80 | — | — | |
| SCHEMBL811234 | 0.77 | — | — | |
| SCHEMBL811235 | 0.77 | — | — | |
| SCHEMBL8461978 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TDP1FFAR3TSHRCES2 | |
| SCHEMBL15509040 | 0.74 | — | — | |
| SCHEMBL676423 | 0.74 | — | — |
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 |