Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 5/20 | 0.43 |
| ▸ | WNT1 | P04628 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL3171731 | 0.99 | KDM4E (0.52) | KDM4EALDH1A1TSHRMAPTALOX12 | |
| SCHEMBL3257829 | 0.99 | KDM4E (0.52) | KDM4EALDH1A1TSHRMAPTALOX12 | |
| SCHEMBL3171949 | 0.93 | PARP1 (0.47) | KDM4EALDH1A1TSHRMAPTALOX12 | |
| SCHEMBL3155730 | 0.89 | KCNJ6 (0.42) | KDM4EALDH1A1TSHRMAPTALOX12 | |
| SCHEMBL3164709 | 0.88 | NPC1 (0.47) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3163125 | 0.88 | NPC1 (0.47) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3171920 | 0.87 | ADORA1 (0.47) | KDM4EALDH1A1WNT1GSK3BDYRK1A | |
| SCHEMBL3163144 | 0.86 | ADORA3 (0.46) | KDM4EALDH1A1TSHRMAPTMEN1 | |
| SCHEMBL3171802 | 0.86 | ADORA2A (0.41) | KDM4EALDH1A1ADORA3ADORA2AADORA1 | |
| SCHEMBL3172018 | 0.86 | MEN1 (0.42) | ALDH1A1MEN1KMT2AADORA3ADORA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |