Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.40 |
| ▸ | PHGDH | O43175 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.34 |
| ▸ | GPX4 | P36969 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15048487 | 0.81 | PDE10A (0.43) | PDE10ATGFBR1ALDH1A1SCN9APARP1 | |
| SCHEMBL15048612 | 0.79 | JAK2 (0.40) | PDE10AMEN1KMT2AJAK2 | |
| SCHEMBL15048551 | 0.77 | KLK3 (0.48) | PDE10ATGFBR1PHGDHALDH1A1PKM | |
| SCHEMBL15048619 | 0.76 | NPC1 (0.46) | PHGDHALDH1A1MEN1KMT2APKM | |
| SCHEMBL3103714 | 0.75 | MAPT (0.51) | PHGDHALDH1A1PARP1PARP2 | |
| SCHEMBL15048497 | 0.74 | PDK1 (0.48) | PDE10APHGDHMEN1KMT2AGRM5 | |
| SCHEMBL2678185 | 0.74 | PHGDH (0.60) | PHGDH | |
| SCHEMBL4485194 | 0.71 | PHGDH (0.46) | PHGDHALDH1A1MEN1KMT2APARP1 | |
| SCHEMBL31412430 | 0.71 | CHRM1 (0.37) | PHGDHJAK2FLT3SYK | |
| SCHEMBL7246729 | 0.71 | MAPT (0.45) | PDE10AALDH1A1MEN1KMT2A |
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 |