Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16637718 | 0.78 | ALDH1A1 (0.34) | ALDH1A1KDM4EPOLB | |
| SCHEMBL27610890 | 0.74 | ALDH1A1 (0.32) | ALDH1A1KDM4EPOLB | |
| SCHEMBL5478928 | 0.71 | ALDH1A1 (0.33) | ALDH1A1KDM4EPOLB | |
| SCHEMBL29026096 | 0.71 | TSHR (0.33) | — | |
| Bicarbonate SCHEMBL6526846 | 0.71 | ALDH1A1 (0.36) | ALDH1A1KDM4EPOLB | |
| SCHEMBL29063568 | 0.71 | TSHR (0.42) | ALDH1A1 | |
| SCHEMBL9451009 | 0.71 | ALDH1A1 (0.34) | ALDH1A1KDM4EPOLB | |
| SCHEMBL5483242 | 0.70 | MEN1 (0.33) | ALDH1A1KDM4EPOLB | |
| SCHEMBL5479722 | 0.70 | ALDH1A1 (0.32) | ALDH1A1KDM4EPOLB | |
| SCHEMBL9222871 | 0.70 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100368401-C | Cyanoguanidine prodrugs | LEO PHARMA AS (DK) | 2008-02-13 | — | — | CN | disclosed |
| CN-1589262-A | Cyanoguanidine prodrugs | LEO PHARMA AS (DK) | 2005-03-02 | — | — | CN | disclosed |