Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ADK | P55263 | 1/20 | 0.48 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8850966 | 0.91 | ADK (0.43) | KDM4EGAAADKPTK2ADORA2A | |
| SCHEMBL10662972 | 0.89 | ADK (0.41) | KDM4EGAAADKPTK2ADORA2A | |
| SCHEMBL10663828 | 0.88 | ADK (0.41) | KDM4EGAAADKPTK2ADORA2A | |
| SCHEMBL10657255 | 0.88 | KDM4E (0.55) | KDM4EGAAADKPTK2ADORA2A | |
| SCHEMBL8851858 | 0.88 | PTK2 (0.46) | KDM4EGAAADKPTK2ADORA2A | |
| SCHEMBL7930954 | 0.88 | SMN1; SMN2 (0.49) | KDM4EGAAADKMAPK1SMN1; SMN2 | |
| SCHEMBL8851853 | 0.87 | PTK2 (0.45) | KDM4EGAAADKPTK2ADORA2A | |
| SCHEMBL10661136 | 0.84 | SMN1; SMN2 (0.50) | KDM4EGAAADKMAPK1SMN1; SMN2 | |
| SCHEMBL10660765 | 0.84 | SMN1; SMN2 (0.41) | KDM4EGAAADKADORA2AMAPK1 | |
| SCHEMBL8851147 | 0.84 | HTT (0.47) | KDM4EPTK2MAPK1SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6232312-B1 | ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER | CELL PATHWAYS, INC. | 2001-05-15 | — | — | US | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |