Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157497 | 0.75 | — | — | |
| SCHEMBL14878115 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TP53TSHR | |
| SCHEMBL15428338 | 0.73 | — | — | |
| SCHEMBL14724838 | 0.73 | — | — | |
| SCHEMBL24354833 | 0.70 | ALDH1A1 (0.30) | ALDH1A1TP53TSHR | |
| SCHEMBL13211899 | 0.70 | ALDH1A1 (0.30) | ALDH1A1TP53TSHR | |
| SCHEMBL14327307 | 0.70 | — | — | |
| SCHEMBL12507830 | 0.69 | ALDH1A1 (0.33) | ALDH1A1TP53TSHR | |
| SCHEMBL1162809 | 0.67 | — | — | |
| SCHEMBL21725737 | 0.67 | — | — |
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-2017133657-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |