Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 12/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL415216 | 0.91 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2BIKBKB | |
| SCHEMBL414307 | 0.89 | ADORA1 (0.75) | ADORA1ADORA2AADORA3ADORA2BIKBKB | |
| SCHEMBL10135692 | 0.87 | ADORA1 (0.74) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL412422 | 0.86 | ADORA1 (0.74) | ADORA1ADORA2AADORA3ADORA2BIKBKB | |
| Fumaric Acid SCHEMBL411630 | 0.86 | ADORA1 (0.70) | ADORA1ADORA2AADORA3ADORA2BIKBKB | |
| Maleic Acid SCHEMBL411628 | 0.86 | ADORA1 (0.70) | ADORA1ADORA2AADORA3ADORA2BIKBKB | |
| SCHEMBL414200 | 0.85 | ADORA1 (0.73) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL417963 | 0.85 | ADORA1 (0.72) | ADORA1ADORA2AADORA3ADORA2BIKBKB | |
| Hydrochloric Acid SCHEMBL414128 | 0.84 | ADORA1 (0.72) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL945688 | 0.83 | ADORA1 (0.83) | ADORA1ADORA2AADORA3ADORA2BIKBKB |
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-2393552-A1 | A NOVEL CYANOPYRIMIDINE DERIVATIVE | Otsuka Pharmaceutical Co., Ltd. (JP) | 2011-12-14 | — | — | EP | claimed |
| WO-2010090299-A1 | A NOVEL CYANOPYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-08-12 | — | — | WO | claimed |