Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3164709 | 0.90 | NPC1 (0.47) | ALDH1A1NPC1MAPTJAK3ADORA2A | |
| SCHEMBL3163125 | 0.90 | NPC1 (0.47) | ALDH1A1NPC1MAPTJAK3ADORA2A | |
| SCHEMBL3162425 | 0.90 | EGFR (0.53) | ALDH1A1TSHRSMN1; SMN2MAPTLMNA | |
| SCHEMBL3171920 | 0.89 | ADORA1 (0.47) | ALDH1A1CLK1ADORA2AADORA1KDM4E | |
| SCHEMBL3163144 | 0.89 | ADORA3 (0.46) | ALDH1A1TSHRSMN1; SMN2MAPTLMNA | |
| SCHEMBL3160939 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TSHRSMN1; SMN2LMNAADORA2A | |
| SCHEMBL3169937 | 0.88 | ALDH1A1 (0.48) | ALDH1A1ADORA2AADORA1HSD17B10EGFR | |
| SCHEMBL3163746 | 0.88 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTADORA2AADORA1 | |
| SCHEMBL3175543 | 0.86 | EGFR (0.50) | ALDH1A1TSHRSMN1; SMN2MAPTLMNA | |
| SCHEMBL3170421 | 0.86 | SMN1; SMN2 (0.55) | ALDH1A1TSHRSMN1; SMN2JAK3KDM4E |
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 |