Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9068456 | 0.81 | CYP1A2 (0.47) | TBXAS1CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL18801487 | 0.81 | CYP1A2 (0.47) | TBXAS1CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1140655 | 0.79 | EPHX2 (0.40) | CYP1A2CYP3A4TSHRALDH1A1PTGS2 | |
| SCHEMBL20448 | 0.77 | PTGS2 (0.57) | ALDH1A1PTGS2CES2CES1MAOA | |
| SCHEMBL7986401 | 0.77 | MAOA (0.52) | ALDH1A1MAOAMAOBMAPK1 | |
| SCHEMBL28871639 | 0.76 | ATM (0.42) | CYP1A2CYP3A4TSHRALDH1A1PTGS2 | |
| SCHEMBL714034 | 0.76 | CES2 (0.56) | PTGS2CES2CES1MAOAMAOB | |
| SCHEMBL28969843 | 0.76 | EGFR (0.45) | TBXAS1CYP1A2CYP3A4TSHRALDH1A1 | |
| SCHEMBL465114 | 0.74 | CES2 (0.58) | PTGS2CES2CES1 | |
| SCHEMBL29827 | 0.74 | CES2 (0.58) | PTGS2CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1288235-A2 | Agents for the improvement of the vulcanisation behaviour in the preparation of grafted or crosslinked polymers and filled resins | Degussa AG (DE) | 2003-03-05 | — | — | EP | disclosed |