Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20048947 | 0.83 | PTPRC (0.39) | CYP2D6PTPRCCA12CA2CA14 | |
| SCHEMBL11495264 | 0.80 | — | — | |
| SCHEMBL27275384 | 0.79 | MAOA (0.41) | CYP2D6PTPRCCA12CA2CA14 | |
| SCHEMBL6610608 | 0.78 | MEN1 (0.41) | CYP2D6PTPRCCA12CA2CA14 | |
| SCHEMBL14056719 | 0.78 | PTPRC (0.36) | CYP2D6PTPRCCA12CA2CA14 | |
| SCHEMBL125503 | 0.76 | TDP1 (0.52) | CYP2D6CA12CA2CA14TDP1 | |
| SCHEMBL6937980 | 0.76 | MEN1 (0.40) | CYP2D6PTPRCCA12CA2CA14 | |
| SCHEMBL7660758 | 0.76 | PTPRC (0.40) | CYP2D6PTPRCCA12CA2CA14 | |
| SCHEMBL23299718 | 0.75 | RECQL (0.41) | CYP2D6PTPRCCA12CA2CA14 | |
| SCHEMBL23894059 | 0.75 | CA2 (0.41) | CYP2D6PTPRCCA12CA2CA14 |
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-2310012-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES | Janssen Pharmaceutica N.V. (BE) | 2011-04-20 | — | — | EP | disclosed |
| WO-2010002774-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2010-01-07 | — | — | WO | disclosed |