Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.60 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553578 | 1.00 | ADORA2B (0.60) | ADORA2BTBXAS1ADORA3ADORA2AADORA1 | |
| SCHEMBL6554070 | 0.91 | ADORA2B (0.72) | ADORA2BTBXAS1ADORA3ADORA2AADORA1 | |
| SCHEMBL6554077 | 0.91 | ADORA2B (0.72) | ADORA2BTBXAS1ADORA3ADORA2AADORA1 | |
| SCHEMBL6553600 | 0.85 | ADORA2B (0.59) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6553611 | 0.85 | ADORA2B (0.59) | ADORA2BADORA3ADORA2AADORA1PTPN1 | |
| SCHEMBL6555301 | 0.84 | ADORA2B (0.60) | ADORA2BTBXAS1ADORA3ADORA2AADORA1 | |
| SCHEMBL6555310 | 0.84 | ADORA2B (0.60) | ADORA2BTBXAS1ADORA3ADORA2AADORA1 | |
| SCHEMBL6553692 | 0.84 | ADORA2B (0.43) | ADORA2BADORA3ADORA2AADORA1POLB | |
| SCHEMBL9157123 | 0.84 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1CYP1A2 | |
| SCHEMBL9155023 | 0.84 | ADORA2B (0.65) | ADORA2BADORA3ADORA2AADORA1CYP1A2 |
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-1104422-B1 | PHENYL XANTHINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2004-02-18 | — | — | EP | disclosed |