Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL14174669 | 0.67 | DYRK1A (0.31) | — | |
| SCHEMBL12638772 | 0.62 | NNMT (0.34) | — | |
| SCHEMBL13262163 | 0.61 | — | — | |
| SCHEMBL13588374 | 0.60 | — | — | |
| SCHEMBL16446344 | 0.60 | — | — | |
| SCHEMBL30748841 | 0.60 | — | — | |
| SCHEMBL16916371 | 0.60 | UHRF1 (0.46) | ALDH1A1ALOX15 | |
| SCHEMBL23240709 | 0.59 | NOS1 (0.44) | — | |
| SCHEMBL218726 | 0.55 | ALDH1A1 (0.54) | ALDH1A1ALOX15TSHR | |
| SCHEMBL1323446 | 0.53 | ALDH1A1 (0.50) | ALDH1A1ALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2498780-B1 | N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2016-09-07 | — | — | EP | disclosed |