Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL5790039 | 0.90 | PTGS2 (0.34) | — | |
| SCHEMBL5789658 | 0.85 | NQO2 (0.33) | ALDH1A1MEN1KMT2ADHODH | |
| SCHEMBL5788989 | 0.79 | PTGS2 (0.33) | ALDH1A1MEN1KMT2A | |
| SCHEMBL5790699 | 0.79 | NPC1 (0.33) | ALDH1A1 | |
| SCHEMBL5321256 | 0.75 | DHPS (0.44) | MEN1KMT2A | |
| SCHEMBL5788390 | 0.73 | HTR1A (0.31) | — | |
| SCHEMBL5789811 | 0.73 | PTGS2 (0.33) | DHODH | |
| SCHEMBL28621595 | 0.73 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL5789499 | 0.72 | PTGS2 (0.39) | ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL5788870 | 0.72 | AR (0.33) | — |
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 |