Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.35 |
| ▸ | FABP7 | O15540 | 2/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764 | 0.87 | CA1 (0.53) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL28101345 | 0.83 | CA1 (0.44) | CA1CA2HTR2AKMT2AFABP5 | |
| Tert-Butyl Formate SCHEMBL2890845 | 0.82 | CA1 (0.41) | CA1CA2HTR2AKMT2AFABP5 | |
| Dimethylformamide SCHEMBL28264885 | 0.81 | CA1 (0.45) | CA1CA2GPR3HTR2AKMT2A | |
| SCHEMBL28310443 | 0.77 | CA1 (0.44) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL27768296 | 0.77 | CA1 (0.41) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL22320252 | 0.75 | HTR2A (0.40) | CA1CA2GPR3HTR2AFABP5 | |
| SCHEMBL18055683 | 0.75 | CA1 (0.42) | CA1CA2GPR3HTR2AKMT2A | |
| SCHEMBL28678862 | 0.72 | CA1 (0.40) | CA1CA2HTR2AKMT2AFABP5 | |
| SCHEMBL29479940 | 0.72 | KMT2A (0.47) | CA1CA2KMT2AFABP5FABP7 |
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-110093408-A | A kind of DNA encoding compound library and method for screening compound | 成都先导药物开发股份有限公司 | 2019-08-06 | — | — | CN | disclosed |