Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 7/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.61 |
| ▸ | CDC25B | P30305 | 2/20 | 0.61 |
| ▸ | USP2 | O75604 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | PTPN22 | Q9Y2R2 | 4/20 | 0.58 |
| ▸ | TNF | P01375 | 1/20 | 0.56 |
| ▸ | IL6 | P05231 | 1/20 | 0.56 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.55 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.55 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13980690 | 0.93 | ALDH1A1 (0.54) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL4667580 | 0.89 | MEN1 (0.77) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL4667584 | 0.89 | MEN1 (0.77) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL14001099 | 0.88 | CDC25B (0.71) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL14001156 | 0.88 | CSNK2A2 (0.72) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL13980706 | 0.85 | MEN1 (0.60) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL14001096 | 0.84 | CDC25B (0.68) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL14001182 | 0.84 | CDC25B (0.60) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL14001186 | 0.83 | CDC25B (0.68) | ALDH1A1NPSR1MEN1KMT2ACDC25B | |
| SCHEMBL14001185 | 0.83 | CDC25B (0.65) | ALDH1A1NPSR1MEN1KMT2ACDC25B |
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-2008149311-A1 | USE OF DERIVATIVES OF 3-OXO-2,3-DIHYDRO-5H-THIAZOLOF[3,2-A]PYRIMIDINE OR OF 3-OXO-2,3-DIHYDRO-5H-SELENAZOLO[3,2-A]PYRIMIDINE OR OF 3-OXO-1,2,3-TRIHYDRO-5H-IMIDAZOLO[1,2-A]PYRIMIDINE FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS INTENDED FOR THE TREATMENT OF CANCER | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2008-12-11 | — | — | WO | disclosed |