Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD1 | P21728 | 3/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.36 |
| ▸ | DRD5 | P21918 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL16684564 | 0.82 | ALDH1A1 (0.34) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL4032657 | 0.82 | NR1H2 (0.42) | — | |
| SCHEMBL4032654 | 0.82 | NR1H2 (0.42) | — | |
| SCHEMBL4063484 | 0.81 | KIF11 (0.37) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL4038267 | 0.81 | KIF11 (0.37) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL30571658 | 0.79 | SMYD2 (0.35) | BCHEDRD2DRD1DRD4DRD5 | |
| SCHEMBL15798612 | 0.77 | NR1H2 (0.36) | BCHEDRD2DRD3TSHRGAA | |
| SCHEMBL23306296 | 0.74 | PDK1 (0.42) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL13987854 | 0.74 | DRD2 (0.34) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL25827425 | 0.73 | PDK1 (0.42) | — |
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-2004087050-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2004-10-14 | — | — | WO | disclosed |