Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3162900 | 0.93 | MAPT (0.44) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL3258722 | 0.87 | EGFR (0.46) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL3175773 | 0.87 | GAA (0.55) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3162425 | 0.87 | EGFR (0.53) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL3170498 | 0.87 | TSHR (0.41) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL3172699 | 0.86 | ALDH1A1 (0.51) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL3160939 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNATSHRSMN1; SMN2NPSR1 | |
| SCHEMBL3175718 | 0.85 | DRD4 (0.51) | ALDH1A1LMNAUSP2DRD2DRD4 | |
| SCHEMBL3175833 | 0.85 | DRD4 (0.51) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL3171920 | 0.85 | ADORA1 (0.47) | ALDH1A1GSK3BEGFRADORA3ADORA2A |
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 |