Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.65 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 3/20 | 0.59 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.56 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4883621 | 1.00 | ABCG2 (0.65) | ABCG2PTPN1MAOBSLC5A1SLC5A2 | |
| SCHEMBL17237769 | 0.93 | MAOB (0.67) | ABCG2PTPN1MAOBSLC5A1SLC5A2 | |
| SCHEMBL4414036 | 0.88 | ABCG2 (0.50) | ABCG2PTPN1MAOBSLC5A1SLC5A2 | |
| SCHEMBL8064391 | 0.85 | PTPN1 (0.56) | ABCG2PTPN1MAOBAPPMEN1 | |
| SCHEMBL27630436 | 0.84 | ABCG2 (0.50) | ABCG2PTPN1MAOBSLC5A1SLC5A2 | |
| SCHEMBL8052936 | 0.83 | PTPN1 (0.57) | ABCG2PTPN1MAOBAPPMEN1 | |
| SCHEMBL3046006 | 0.83 | ABCG2 (0.64) | ABCG2PTPN1MAOBSLC5A1SLC5A2 | |
| SCHEMBL13029337 | 0.83 | ABCG2 (0.64) | ABCG2PTPN1MAOBSLC5A1SLC5A2 | |
| SCHEMBL27650595 | 0.83 | ABCG2 (0.53) | ABCG2PTPN1MAOBSLC5A1SLC5A2 | |
| SCHEMBL27705775 | 0.82 | MAOB (0.71) | ABCG2PTPN1MAOBAPPMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1845778-A2 | SYNTHESIS OF INHIBITORS OF P90RSK | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006086103-A2 | SYNTHESIS OF INHIBITORS OF P90RSK | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2006-08-17 | — | — | WO | disclosed |