Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL28299548 | 0.75 | HDAC6 (0.63) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL11814352 | 0.75 | ADORA2A (0.59) | ADORA2AADORA1ALDH1A1GAAADORA2B | |
| SCHEMBL3274417 | 0.73 | ADORA2A (0.71) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL6944407 | 0.72 | HDAC6 (0.50) | HDAC6HSP90AA1HSP90AB1ALDH1A1KDM4E | |
| SCHEMBL6948194 | 0.71 | HSP90AA1 (0.45) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL28324771 | 0.70 | TNF (0.46) | HDAC6ADORA2AALDH1A1MEN1POLB | |
| SCHEMBL4961031 | 0.69 | HDAC6 (0.52) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL29761060 | 0.69 | HDAC6 (0.67) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL6948821 | 0.69 | MAPT (0.40) | ALDH1A1MAPTEGFRCYP1A2 | |
| SCHEMBL6946592 | 0.69 | HDAC6 (0.62) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |