Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | ROS1 | P08922 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27829046 | 0.87 | EGFR (0.37) | EGFRJAK2ROS1PDGFRAFLT4 | |
| SCHEMBL27794804 | 0.80 | CA12 (0.46) | EGFRJAK2ROS1PDGFRAFLT4 | |
| SCHEMBL28541140 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL27794805 | 0.78 | EGFR (0.43) | EGFRJAK2ROS1PDGFRAFLT4 | |
| SCHEMBL21219198 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNAMAPTMAPK1 | |
| SCHEMBL3889830 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL18613996 | 0.75 | CA12 (0.43) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL28634383 | 0.75 | CA12 (0.49) | KDM4ELMNACA12CA1CA2 | |
| SCHEMBL29976342 | 0.75 | S1PR4 (0.53) | ALDH1A1LMNAMAPT | |
| SCHEMBL21751770 | 0.75 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNAMAPTMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101921295-A | Technetium carbonyl marked 2-nitroimidazole complex as well as preparation method and application thereof | UNIV LANZHOU | 2010-12-22 | — | — | CN | disclosed |