Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | PTPRC | P08575 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL204112 | 0.89 | CA1 (0.55) | EGFRHCRTR1HCRTR2CA1CA2 | |
| SCHEMBL204113 | 0.83 | KDM4E (0.53) | EGFRPTGS2HCRTR1HCRTR2CA1 | |
| SCHEMBL17164832 | 0.83 | EGFR (0.56) | EGFRPTGS2CA1CA2CA12 | |
| SCHEMBL18822001 | 0.82 | EGFR (0.73) | EGFRPTGS2CA1CA2CA12 | |
| SCHEMBL17656285 | 0.81 | HCRTR1 (0.48) | EGFRHCRTR1HCRTR2CA1CA2 | |
| SCHEMBL21261147 | 0.81 | EGFR (0.62) | EGFRPTGS2CA1CA2CA12 | |
| SCHEMBL28255681 | 0.81 | SLC2A1 (0.63) | EGFRPTGS2CA1CA2CA12 | |
| SCHEMBL2482898 | 0.81 | NOTUM (0.48) | HCRTR1HCRTR2CA1CA2CA12 | |
| SCHEMBL550572 | 0.80 | CA1 (0.57) | HCRTR1HCRTR2CA1CA2CA12 | |
| SCHEMBL28581732 | 0.79 | KDM4E (0.62) | EGFRPTGS2CA1CA2CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024382-A | Monocyano-substituted polycarboxylic organic ligand and preparation method thereof | 同济大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-113024824-A | Cyano-functionalized metal organic framework material and preparation method thereof | 同济大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-110483333-A | A kind of preparation method for the polycarboxylic acid organic ligand that dicyanogen methyl isophorone replaces | UNIV TONGJI | 2019-11-22 | — | — | CN | disclosed |