Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | INSR | P06213 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | FLT4 | P35916 | 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 | |
|---|---|---|---|---|
| SCHEMBL6658572 | 1.00 | CA1 (0.45) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL7089449 | 0.81 | HDAC3 (0.48) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL6659321 | 0.80 | HDAC3 (0.45) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL6659312 | 0.80 | HDAC3 (0.45) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL7088855 | 0.79 | CA12 (0.40) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL13542838 | 0.78 | THRB (0.49) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL7089006 | 0.77 | HDAC3 (0.45) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL7089774 | 0.77 | SMN1; SMN2 (0.45) | MEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL13542841 | 0.77 | HDAC3 (0.44) | CA1CA2CA12PLK4AURKA | |
| SCHEMBL7092254 | 0.77 | HDAC3 (0.44) | CA1CA2CA12PLK4AURKA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004012506-A2 | ANTIMICROBIAL COMPOUNDS | EXEGENICS, INC. (US) | 2004-02-12 | — | — | WO | disclosed |