Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90B1 | P14625 | 2/20 | 0.74 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.72 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.72 |
| ▸ | AHCY | P23526 | 3/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.60 |
| ▸ | HINT1 | P49773 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | NT5E | P21589 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10459063 | 0.88 | ADORA2A (0.69) | HSP90B1ADORA2BADORA2AAHCYADORA3 | |
| SCHEMBL12160361 | 0.85 | ADORA2A (0.65) | HSP90B1ADORA2BADORA2AAHCYADORA3 | |
| SCHEMBL22354804 | 0.84 | AHCY (1.00) | HSP90B1ADORA2BADORA2AAHCYADORA3 | |
| SCHEMBL13889874 | 0.84 | AHCY (1.00) | HSP90B1ADORA2BADORA2AAHCYADORA3 | |
| SCHEMBL4452559 | 0.81 | ADORA3 (0.77) | HSP90B1ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL4452551 | 0.81 | ADORA3 (0.77) | HSP90B1ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL19843948 | 0.81 | ADORA3 (0.77) | HSP90B1ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL4160614 | 0.81 | ADORA2A (0.71) | HSP90B1ADORA2BADORA2AAHCYADORA3 | |
| SCHEMBL6841422 | 0.81 | NT5E (0.67) | HSP90B1ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL24359132 | 0.79 | LMNA (0.78) | ADORA2BADORA2AADORA3ADORA1HIF1A |
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-1802316-B1 | PURINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORP (US) | 2011-11-02 | — | — | EP | disclosed |