Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL217412 | 0.84 | — | — | |
| SCHEMBL12409407 | 0.83 | DPP4 (0.35) | ALDH1A1EPHX2ATM | |
| SCHEMBL12409408 | 0.83 | DPP4 (0.35) | ALDH1A1EPHX2ATM | |
| Hydrochloric Acid SCHEMBL4471911 | 0.82 | — | — | |
| SCHEMBL11042893 | 0.82 | PARP1 (0.32) | ALDH1A1EPHX2 | |
| SCHEMBL12549256 | 0.82 | JAK1 (0.36) | ALDH1A1EPHX2ATM | |
| SCHEMBL12548360 | 0.82 | JAK1 (0.36) | ALDH1A1EPHX2ATM | |
| SCHEMBL12549310 | 0.79 | MEN1 (0.41) | ALDH1A1 | |
| SCHEMBL12548943 | 0.79 | MEN1 (0.41) | ALDH1A1 | |
| SCHEMBL15191474 | 0.78 | L3MBTL3 (0.38) | ALDH1A1ATM |
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-2010027097-A1 | TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-11 | — | — | WO | disclosed |