Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2861074 | 0.76 | ALDH1A1 (0.45) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL16328588 | 0.73 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL219201 | 0.73 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL18595270 | 0.73 | LMNA (0.45) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL24355582 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL9974585 | 0.70 | CETP (0.33) | — | |
| SCHEMBL24355585 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL19047845 | 0.69 | ALDH1A1 (0.54) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL218869 | 0.69 | ALDH1A1 (0.54) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL14616067 | 0.69 | ALDH1A1 (0.54) | CYP3A4ALDH1A1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009097349-A1 | THERAPEUTIC COMPOSITIONS | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2009-08-06 | — | — | WO | disclosed |