Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 3/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.42 |
| ▸ | KDM5C | P41229 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.42 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28577777 | 0.93 | EGFR (0.52) | EGFRPTGS2GRM5XDHKDM4E | |
| SCHEMBL404224 | 0.90 | EGFR (0.57) | EGFRPTGS2GRM5XDH | |
| SCHEMBL28571512 | 0.86 | XDH (0.48) | GRM5XDH | |
| SCHEMBL28880690 | 0.86 | CA1 (0.50) | EGFRXDHKDM4E | |
| SCHEMBL23768092 | 0.84 | XDH (0.51) | EGFRXDHCYP2C8 | |
| SCHEMBL29788308 | 0.83 | CYP2C8 (0.56) | XDHCYP2C8PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL2041742 | 0.83 | CYP2C8 (0.56) | XDHCYP2C8PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL15999096 | 0.82 | PTGS1 (0.51) | EGFRGRM5KDM4E | |
| SCHEMBL8176629 | 0.81 | GRM5 (0.49) | GRM5XDHKDM4E | |
| SCHEMBL3722137 | 0.80 | EGFR (0.51) | EGFRPTGS2XDHKDM4E |
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-113024382-A | Monocyano-substituted polycarboxylic organic ligand and preparation method thereof | 同济大学 | 2021-06-25 | — | — | CN | disclosed |