Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.64 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.64 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7269103 | 0.86 | ADORA1 (0.81) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| SCHEMBL14051422 | 0.83 | ADORA1 (0.91) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| Rolofylline SCHEMBL720438 | 0.78 | ADORA1 (1.00) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| SCHEMBL7270718 | 0.77 | ADORA1 (1.00) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| SCHEMBL8704620 | 0.76 | ADORA1 (0.81) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| Rolofylline SCHEMBL13414143 | 0.76 | ADORA1 (0.78) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| SCHEMBL8709754 | 0.75 | ADORA1 (0.83) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| SCHEMBL7279878 | 0.75 | ADORA1 (0.72) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| Rolofylline SCHEMBL13414105 | 0.74 | ADORA1 (0.86) | ADORA2AADORA2BADORA1ADORA3SLC6A3 | |
| SCHEMBL7270716 | 0.74 | ADORA1 (0.82) | ADORA2AADORA2BADORA1ADORA3SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006115690-A2 | PRODUCTION OF EMULSIONS FOR INTRAVENOUS INJECTION OF WATER-INSOLUBLE PHARMACEUTICAL COMPOSITIONS | NOVACARDIA, INC. (US) | 2006-11-02 | — | — | WO | disclosed |