Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 7/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 6/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31147659 | 1.00 | PSIP1 (0.44) | PSIP1AURKAAURKBMAPK8SYK | |
| SCHEMBL30942621 | 0.91 | AURKA (0.41) | AURKAAURKBMAPK8SYKPTGS1 | |
| SCHEMBL27237965 | 0.91 | AURKA (0.41) | AURKAAURKBMAPK8SYKPTGS1 | |
| SCHEMBL30942599 | 0.86 | PTGS1 (0.49) | AURKAAURKBSYKEGFRPTGS1 | |
| SCHEMBL1039841 | 0.86 | PTGS1 (0.49) | AURKAAURKBSYKEGFRPTGS1 | |
| SCHEMBL30942660 | 0.81 | SLC40A1 (0.50) | AURKAAURKB | |
| SCHEMBL5393403 | 0.80 | MAPK14 (0.50) | AURKAAURKBMAPK8SYKEGFR | |
| SCHEMBL31147661 | 0.80 | LMNA (0.52) | AURKAAURKBALDH1A1LMNAHTT | |
| SCHEMBL27238045 | 0.80 | LMNA (0.52) | AURKAAURKBALDH1A1LMNAHTT | |
| SCHEMBL31147654 | 0.77 | ALK (0.46) | PSIP1MAPK8EGFR |
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-4382514-A1 | PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2024-06-12 | — | — | EP | disclosed |
| WO-2023014022-A1 | PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT | 한국화학연구원 | 2023-02-09 | — | — | WO | disclosed |