Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5787468 | 0.89 | NPC1 (0.37) | NPC1ALDH1A1RAB9A | |
| SCHEMBL5789277 | 0.85 | KDM4E (0.30) | ALDH1A1 | |
| SCHEMBL5805179 | 0.84 | NPC1 (0.32) | NPC1ALDH1A1RAB9A | |
| SCHEMBL5791789 | 0.79 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5789312 | 0.78 | NPC1 (0.33) | NPC1ALDH1A1RAB9A | |
| SCHEMBL5789658 | 0.77 | NQO2 (0.33) | NPC1ALDH1A1RAB9A | |
| SCHEMBL5806374 | 0.75 | PTGS2 (0.30) | — | |
| SCHEMBL5789499 | 0.74 | PTGS2 (0.39) | ALDH1A1RAB9A | |
| SCHEMBL2959535 | 0.72 | ADRA2A (0.32) | — | |
| SCHEMBL5789690 | 0.72 | ALDH1A1 (0.33) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1660500-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005014598-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2005-02-17 | — | — | WO | disclosed |