Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SLC28A3 | Q9HAS3 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3965332 | 0.85 | MAOB (0.58) | MAOBTHRBKDM4ESLC28A3CA12 | |
| SCHEMBL12009587 | 0.83 | MAOB (0.63) | MAOBTHRBKDM4ESLC28A3CA12 | |
| SCHEMBL29958256 | 0.83 | MAOB (0.56) | MAOBTHRBKDM4ESLC28A3CA12 | |
| SCHEMBL1727821 | 0.83 | MAOB (0.56) | MAOBTHRBKDM4ESLC28A3CA12 | |
| SCHEMBL29788611 | 0.81 | MAOB (0.61) | MAOBTHRBSLC28A3GAACA12 | |
| SCHEMBL1448829 | 0.81 | MAOB (0.61) | MAOBTHRBSLC28A3GAACA12 | |
| SCHEMBL15012848 | 0.80 | CA12 (0.54) | MAOBTHRBKDM4ESLC28A3CA12 | |
| SCHEMBL1933278 | 0.79 | GAA (0.63) | HTTKDM4EGAAATMPOLB | |
| SCHEMBL3615226 | 0.79 | MAOB (0.52) | MAOBTHRBKDM4ESLC28A3CA12 | |
| SCHEMBL31162790 | 0.79 | MAOB (0.58) | MAOBTHRBKDM4ESLC28A3CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-6828350-B1 | Inhibiting the activity of a picornavirus 3C protease or a cysteine protease with a composition having an orthohydroxy keto aryl core structure | EXEGENICS INC. | 2004-12-07 | — | — | US | disclosed |