Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2187856 | 0.87 | MEN1 (0.38) | CYP2D6CYP1A2ALDH1A1STAT3GAA | |
| SCHEMBL11462063 | 0.86 | TSHR (0.43) | CYP2D6CYP1A2ALDH1A1STAT3CYP3A4 | |
| SCHEMBL14078805 | 0.85 | CYP2D6 (0.36) | CYP2D6CYP1A2ALDH1A1STAT3CYP3A4 | |
| SCHEMBL9249350 | 0.83 | CYP2D6 (0.39) | CYP2D6CYP1A2ALDH1A1STAT3GAA | |
| SCHEMBL9181014 | 0.83 | CYP2D6 (0.42) | CYP2D6CYP1A2ALDH1A1STAT3GAA | |
| SCHEMBL28722155 | 0.82 | MEN1 (0.39) | CYP2D6CYP1A2ALDH1A1STAT3GAA | |
| SCHEMBL30335196 | 0.82 | HPN (0.39) | CYP2D6CYP1A2ALDH1A1STAT3CYP3A4 | |
| SCHEMBL18703971 | 0.82 | ALDH1A1 (0.37) | CYP2D6CYP1A2ALDH1A1GAA | |
| SCHEMBL30981018 | 0.81 | MMP13 (0.56) | TP53 | |
| SCHEMBL1474505 | 0.80 | CYP2D6 (0.43) | CYP2D6CYP1A2ALDH1A1STAT3GAA |
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-2277873-B1 | Intermediate compound for the preparation of halichondrin analogs | EISAI R&D MAN CO LTD (JP) | 2012-05-30 | — | — | EP | disclosed |