Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6942339 | 0.89 | ADORA2A (0.42) | ADORA2AADORA3ADORA1ADORA2BKMT2A | |
| SCHEMBL6481525 | 0.80 | F10 (0.42) | KMT2AALDH1A1F2MAPK1HDAC6 | |
| SCHEMBL6947698 | 0.78 | ADORA3 (0.44) | ADORA2AADORA3ADORA1ADORA2BKMT2A | |
| SCHEMBL3267685 | 0.73 | ADORA2A (0.67) | ADORA2AADORA1 | |
| SCHEMBL6948592 | 0.67 | FDPS (0.55) | KMT2AALDH1A1CYP1A2CYP2C19HDAC6 | |
| SCHEMBL10423399 | 0.67 | MEN1 (0.56) | KMT2A | |
| SCHEMBL3268529 | 0.65 | ADORA2A (0.49) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL3269745 | 0.64 | ADORA2A (0.70) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL22573814 | 0.64 | ADORA3 (0.56) | ADORA2AADORA3ADORA1ADORA2BKMT2A | |
| SCHEMBL1038315 | 0.63 | KDM4E (0.69) | CYP2C19 |
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 |