Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 6/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6870566 | 0.92 | ADORA2A (0.45) | ADORA2ACYP2D6CYP3A4 | |
| SCHEMBL6863393 | 0.92 | ADORA2A (0.50) | ADORA2ALPAR1LPAR2LPAR5LPAR3 | |
| SCHEMBL6863124 | 0.92 | ADORA2A (0.49) | ADORA2ALPAR1LPAR5CYP3A4 | |
| SCHEMBL6867221 | 0.91 | ADORA2A (0.46) | ADORA2ALPAR1LPAR2LIMK2CYP3A4 | |
| SCHEMBL6871694 | 0.85 | ADORA2A (0.44) | ADORA2APARP1 | |
| SCHEMBL6871816 | 0.84 | ADORA2A (0.57) | ADORA2A | |
| SCHEMBL6870537 | 0.83 | ADORA2A (0.62) | ADORA2ALTB4R2 | |
| SCHEMBL6873020 | 0.80 | ADORA2A (0.53) | ADORA2AHDAC1HDAC6CYP2D6CYP2C9 | |
| SCHEMBL6863381 | 0.80 | ADORA2A (0.46) | ADORA2ALPAR1LPAR5 | |
| SCHEMBL6867557 | 0.80 | ADORA2A (0.46) | ADORA2AHDAC1HDAC6CYP2D6CYP2C9 |
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-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |