Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4025663 | 0.88 | DPP4 (0.38) | SLC6A3SLC6A4ALDH1A1DPP4DPP7 | |
| SCHEMBL4021356 | 0.88 | SLC6A3 (0.40) | SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL4032283 | 0.78 | GAA (0.43) | SLC6A3SLC6A4 | |
| SCHEMBL4021827 | 0.77 | SLC6A3 (0.42) | SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL17290963 | 0.72 | ALDH1A1 (0.47) | SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL4024928 | 0.71 | SLC6A3 (0.43) | SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL4022171 | 0.70 | SLC6A3 (0.40) | SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL8004702 | 0.68 | KMT2A (0.53) | SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL13543003 | 0.67 | ATM (0.47) | ALDH1A1 | |
| SCHEMBL4462758 | 0.66 | HDAC3 (0.57) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009100403-A1 | SUBSTITUTED ARYL PYRIMIDINONES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100403-A1 | SUBSTITUTED ARYL PYRIMIDINONES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |