Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BRD2 | P25440 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826334 | 0.82 | ACHE (0.41) | CYP3A4ALDH1A1 | |
| SCHEMBL14985971 | 0.80 | NQO1 (0.50) | TP53KDM4EALDH1A1TSHRMAPT | |
| SCHEMBL7163511 | 0.78 | MAOB (0.42) | KDM4EALDH1A1HTTTSHRMAPT | |
| SCHEMBL13136869 | 0.77 | — | — | |
| SCHEMBL16816439 | 0.76 | LPL (0.52) | TP53CYP3A4KDM4EALDH1A1MAPT | |
| SCHEMBL14985984 | 0.75 | GALR1 (0.37) | ALDH1A1HTTTSHRMAPTGAA | |
| SCHEMBL14985997 | 0.75 | ACHE (0.44) | CYP3A4ALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL14985970 | 0.73 | NQO1 (0.54) | TP53KDM4EALDH1A1TSHRMAPT | |
| SCHEMBL14983435 | 0.73 | ACHE (0.41) | TP53KDM4EALDH1A1TDP1HPGD | |
| 1,3-Diethoxybenzene SCHEMBL1100167 | 0.71 | TP53 (0.71) | TP53CYP3A4KDM4EALDH1A1HTT |
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-2004037816-A1 | BENZOFURAN COMPOUNDS HAVING ANTITUMOR ACTIVITY | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2004-05-06 | — | — | WO | disclosed |