Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL5859482 | 0.77 | CYP2D6 (0.44) | CYP2D6CYP2C19ALDH1A1ALOX15 | |
| SCHEMBL27867664 | 0.76 | ALDH1A1 (0.41) | CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL7192006 | 0.74 | CYP2D6 (0.39) | CYP2D6CYP2C19ALDH1A1ALOX15 | |
| SCHEMBL16583203 | 0.73 | TSHR (0.46) | ALDH1A1ALOX15 | |
| SCHEMBL12549907 | 0.73 | ALDH1A1 (0.52) | CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL28007306 | 0.72 | TSHR (0.46) | CYP2D6CYP2C19ALDH1A1ALOX15 | |
| SCHEMBL811389 | 0.72 | TSHR (0.39) | CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL2535313 | 0.71 | CYP2C19 (0.38) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL29404250 | 0.71 | ALDH1A1 (0.37) | CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL19601525 | 0.71 | CYP2C19 (0.38) | CYP2D6CYP2C19ALDH1A1 |
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-1355642-A4 | INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS | RES DEV FOUNDATION (US) | 2007-04-04 | — | — | EP | disclosed |
| EP-1355642-A2 | INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS | RESEARCH DEVELOPMENT FOUNDATION (US) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002055016-A2 | INHIBITION OF NF-λB BY TRITERPENE COMPOSITIONS | RES DEV FOUNDATION (US) | 2002-07-18 | — | — | WO | disclosed |