Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.66 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14812146 | 1.00 | PTPN1 (0.66) | PTPN1MAOAMAOBCYP3A4MAPT | |
| Calopocarpin SCHEMBL29411831 | 0.85 | PTPN1 (0.69) | PTPN1MAOAMAOBCYP3A4 | |
| Calopocarpin SCHEMBL30659500 | 0.85 | PTPN1 (0.69) | PTPN1MAOAMAOBCYP3A4 | |
| Erybraedin C SCHEMBL29572548 | 0.79 | PTPN1 (0.77) | PTPN1 | |
| Erybreadin C SCHEMBL31237899 | 0.79 | PTPN1 (1.00) | PTPN1MAOAMAOB | |
| SCHEMBL29928971 | 0.78 | MAOA (0.53) | PTPN1MAOAMAOBCYP3A4MAPT | |
| SCHEMBL14284008 | 0.75 | HTT (0.53) | PTPN1CYP3A4MAPTMAPK1 | |
| SCHEMBL29375586 | 0.75 | PTPN1 (0.60) | PTPN1MAOAMAOBCYP3A4TDP1 | |
| Maackiain SCHEMBL12810278 | 0.73 | MAOA (1.00) | PTPN1MAOAMAOBCYP3A4MAPT | |
| Maackiain SCHEMBL29670858 | 0.73 | MAOA (1.00) | PTPN1MAOAMAOBCYP3A4MAPT |
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-2013040669-A1 | COMPOUNDS OF THE FAMILY OF PTEROCARPAN QUINONES, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITION, USES THEREOF AND THERAPEUTIC METHOD | UNIVERSIDADE FEDERAL DO RIO DE JANEIRO-UFRJ (BR) | 2013-03-28 | — | — | WO | disclosed |