Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 14/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6942339 | 0.81 | ADORA2A (0.42) | ADORA3ADORA1ADORA2AADORA2BKMT2A | |
| SCHEMBL6948678 | 0.78 | ADORA2A (0.41) | ADORA3ADORA1ADORA2AADORA2BKMT2A | |
| SCHEMBL3267606 | 0.70 | ADORA2A (0.56) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL3270277 | 0.70 | ADORA2A (0.76) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL11780649 | 0.68 | ADORA3 (0.51) | ADORA3ADORA1ADORA2AADORA2BMAPT | |
| SCHEMBL3275170 | 0.68 | ADORA2A (0.73) | ADORA3ADORA1ADORA2AADORA2BMAPT | |
| SCHEMBL22573814 | 0.67 | ADORA3 (0.56) | ADORA3ADORA1ADORA2AADORA2BMAPT | |
| SCHEMBL3273966 | 0.66 | ADORA2A (0.59) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL3273958 | 0.65 | ADORA2A (0.56) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9352344 | 0.65 | POLB (0.46) | ADORA3ADORA1ADORA2AADORA2BMAPT |
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 |