Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 10/20 | 0.56 |
| ▸ | PRCP | P42785 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 7/20 | 0.49 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8799768 | 1.00 | TNNI3K (0.56) | TNNI3KPRCPEGFRERBB3PTGS1 | |
| SCHEMBL27330845 | 0.88 | TNNI3K (0.54) | TNNI3KEGFRERBB3 | |
| SCHEMBL8798586 | 0.88 | TNNI3K (0.55) | TNNI3KPRCPEGFRPIM1USP2 | |
| SCHEMBL8798582 | 0.88 | TNNI3K (0.55) | TNNI3KPRCPEGFRPIM1USP2 | |
| SCHEMBL8797830 | 0.87 | PRCP (0.60) | TNNI3KPRCPEGFRERBB3PTGS1 | |
| SCHEMBL8798474 | 0.87 | PRCP (0.60) | TNNI3KPRCPEGFRERBB3PTGS1 | |
| SCHEMBL8801574 | 0.84 | PRCP (0.49) | TNNI3KPRCPEGFRPIM1USP2 | |
| SCHEMBL8801375 | 0.82 | EGFR (0.51) | TNNI3KEGFRERBB3 | |
| SCHEMBL8801381 | 0.82 | EGFR (0.51) | TNNI3KEGFRERBB3 | |
| SCHEMBL8800460 | 0.82 | EGFR (0.55) | TNNI3KPRCPEGFRERBB3CYP1A2 |
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-0779888-A1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1997-06-25 | — | — | EP | disclosed |
| WO-1996007657-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-03-14 | — | — | WO | disclosed |