Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | KLK3 | P07288 | 1/20 | 0.39 |
| ▸ | PDE9A | O76083 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | SPR | P35270 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15048545 | 0.88 | PDE10A (0.45) | PDE10AF12KLK3GRM5 | |
| SCHEMBL15048565 | 0.85 | PDE10A (0.47) | PDE10AF12KLK3SYKMEN1 | |
| SCHEMBL15048617 | 0.81 | F12 (0.46) | PDE10AF12F2PIK3CDKLK3 | |
| SCHEMBL29793860 | 0.78 | F10 (0.55) | PIK3CDF10HSD11B1SPR | |
| SCHEMBL15048577 | 0.74 | HPGDS (0.49) | PDE10ASYKMEN1KMT2ABRD9 | |
| SCHEMBL15048551 | 0.72 | KLK3 (0.48) | PDE10AF12F2KLK3SYK | |
| SCHEMBL15048526 | 0.71 | PDE10A (0.47) | PDE10AKLK3MEN1KMT2A | |
| SCHEMBL15048579 | 0.69 | RET (0.50) | PDE10AF12F2KLK3BAZ2B | |
| SCHEMBL15048542 | 0.69 | KLK3 (0.46) | PDE10AF12F2KLK3BAZ2B | |
| SCHEMBL15048572 | 0.69 | F2 (0.46) | PDE10AF2KLK3BAZ2BGRM5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | claimed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | claimed |
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |