Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL7942443 | 0.92 | ADORA1 (0.66) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL3261040 | 0.87 | ADORA1 (0.55) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL7933364 | 0.85 | ADORA1 (0.55) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL1814207 | 0.80 | ADORA1 (0.84) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL1817960 | 0.80 | ADORA1 (0.61) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL7940578 | 0.79 | ADORA1 (0.66) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL7939581 | 0.77 | ADORA1 (0.66) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL7937616 | 0.76 | ADORA1 (0.54) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL7937178 | 0.76 | ADORA1 (0.60) | ADORA1ADORA3ADORA2BADORA2A | |
| SCHEMBL7939113 | 0.76 | ADORA1 (0.57) | ADORA1ADORA3ADORA2BADORA2A |
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-2010020366-A1 | AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-02-25 | — | — | WO | disclosed |