Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 14/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 14/20 | 0.37 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL9683902 | 0.82 | TAS1R3 (0.48) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL18724898 | 0.79 | PAOX (0.35) | TAS1R3TAS1R1PAOXPLA2G2CHDAC7 | |
| SCHEMBL292771 | 0.78 | TAS1R3 (0.49) | TAS1R3TAS1R1HDAC7HDAC8HDAC6 | |
| SCHEMBL28833130 | 0.76 | TAS1R3 (0.41) | TAS1R3TAS1R1 | |
| SCHEMBL20019784 | 0.73 | PLA2G2C (0.45) | TAS1R3TAS1R1PLA2G2C | |
| SCHEMBL19924203 | 0.73 | PLA2G2C (0.44) | PAOXSIRT6SIRT1PLA2G2CMTNR1A | |
| SCHEMBL19924205 | 0.73 | PLA2G2C (0.44) | PAOXSIRT6SIRT1PLA2G2CMTNR1A | |
| SCHEMBL18724552 | 0.72 | ALDH1A1 (0.41) | PAOXSIRT6SIRT1HDAC7HDAC8 | |
| SCHEMBL9366857 | 0.72 | MTNR1A (0.38) | PAOXCRBNMTNR1AMTNR1B | |
| SCHEMBL13950295 | 0.71 | PAOX (0.39) | PAOXHDAC7HDAC8HDAC6HDAC9 |
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-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |