Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL14699541 | 0.89 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL15900287 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL14721884 | 0.84 | MEN1 (0.34) | — | |
| SCHEMBL7168223 | 0.84 | HTR2A (0.30) | — | |
| SCHEMBL15559609 | 0.78 | CDK1 (0.37) | — | |
| SCHEMBL5495047 | 0.71 | SLC6A9 (0.34) | — | |
| SCHEMBL4913656 | 0.70 | HRH1 (0.44) | — | |
| SCHEMBL14722203 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL14697569 | 0.59 | — | — | |
| SCHEMBL22767496 | 0.58 | KDM4E (0.44) | — |
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-2013026455-A1 | PERMANENTLY POSITIVELY CHARGED ANTIDEPRESSANTS | AARHUS UNIVERSITET (DK) | 2013-02-28 | — | — | WO | disclosed |