Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25A | P30304 | 2/20 | 0.43 |
| ▸ | CDC25B | P30305 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11511226 | 0.79 | IDH1 (0.37) | PTGS1PTGS2ALDH1A1MEN1KMT2A | |
| SCHEMBL11510220 | 0.75 | CDC25A (0.35) | CDC25ACDC25BPTGS1PTGS2CA1 | |
| SCHEMBL11512751 | 0.71 | RXRA (0.42) | CDC25ACDC25BPTGS1PTGS2ALDH1A1 | |
| SCHEMBL11509161 | 0.66 | KDM4E (0.41) | ALDH1A1MEN1KMT2A | |
| SCHEMBL11511365 | 0.66 | PTGS1 (0.35) | PTGS1PTGS2CA1CA2ALDH1A1 | |
| SCHEMBL11512644 | 0.64 | PTGS1 (0.39) | PTGS1PTGS2CA1CA2ALDH1A1 | |
| SCHEMBL11511752 | 0.64 | PTGS1 (0.39) | PTGS1PTGS2CA1CA2ALDH1A1 | |
| SCHEMBL11064568 | 0.63 | CA2 (0.55) | PTGS1PTGS2CA1CA2ALDH1A1 | |
| SCHEMBL803157 | 0.56 | CA2 (1.00) | PTGS1PTGS2CA1CA2ALDH1A1 | |
| SCHEMBL10705932 | 0.55 | CA2 (0.52) | PTGS1PTGS2CA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4178253-A | 1,2,4-TRIAZOLE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1979-12-11 | — | — | US | disclosed |