Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3170204 | 0.93 | KMT2A (0.43) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL3163864 | 0.89 | LMNA (0.43) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL3156223 | 0.86 | KMT2A (0.42) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL3164424 | 0.86 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL3166495 | 0.86 | SLC1A2 (0.44) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL3175820 | 0.86 | MEN1 (0.46) | PHGDHKMT2AMAPTMEN1ALDH1A1 | |
| SCHEMBL3175769 | 0.85 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BADORA3MAPT | |
| SCHEMBL3165360 | 0.84 | PHGDH (0.43) | PHGDHADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL3170498 | 0.84 | TSHR (0.41) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL3155892 | 0.84 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3MAPT |
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 |