Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | IDE | P14735 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3174346 | 0.90 | NPC1 (0.53) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL3175775 | 0.89 | ADORA3 (0.48) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL3172187 | 0.89 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL3170831 | 0.89 | L3MBTL1 (0.50) | ALDH1A1SMN1; SMN2KMT2AMEN1TP53 | |
| SCHEMBL3163156 | 0.88 | RAB9A (0.48) | SMN1; SMN2KMT2AMEN1TP53MAPT | |
| SCHEMBL3176983 | 0.87 | ADORA3 (0.57) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL3164802 | 0.85 | L3MBTL1 (0.52) | ALDH1A1SMN1; SMN2KMT2AMEN1MAPT | |
| SCHEMBL3172697 | 0.85 | NPC1 (0.47) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL3174225 | 0.85 | TP53 (0.43) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL3170845 | 0.84 | ADORA3 (0.46) | ALDH1A1SMN1; SMN2KMT2AMEN1TP53 |
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 |