Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.67 |
| ▸ | GRM5 | P41594 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.45 |
| ▸ | CCR8 | P51685 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30772304 | 1.00 | ASIC3 (0.67) | ASIC3GRM5CYP2A6KAT6AKDM4E | |
| SCHEMBL4914658 | 0.83 | ASIC3 (0.49) | ASIC3GRM5CYP2A6KAT6AKDM4E | |
| SCHEMBL29472032 | 0.82 | CLK4 (0.66) | GRM5KDM4EHTTCLK4 | |
| SCHEMBL29496936 | 0.82 | CLK4 (0.66) | GRM5KDM4EHTTCLK4 | |
| SCHEMBL4905631 | 0.82 | GRM5 (0.47) | ASIC3GRM5CYP2A6KAT6AKDM4E | |
| SCHEMBL1133442 | 0.82 | CLK4 (0.66) | GRM5KDM4EHTTCLK4 | |
| SCHEMBL11795246 | 0.82 | CYP2A6 (0.50) | ASIC3GRM5CYP2A6KAT6AKDM4E | |
| SCHEMBL502867 | 0.80 | KDM4E (0.62) | GRM5CYP2A6KAT6AKDM4ELMNA | |
| SCHEMBL29679578 | 0.80 | KDM4E (0.62) | GRM5CYP2A6KAT6AKDM4ELMNA | |
| SCHEMBL18411315 | 0.79 | GRM5 (0.62) | GRM5KDM4EHTTCLK4 |
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-117430549-A | Method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source | 南开大学 | 2024-01-23 | — | — | CN | disclosed |