Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20580087 | 1.00 | ADORA2A (0.54) | ADORA2AADORA2BCYP1A2MEN1KMT2A | |
| SCHEMBL18512927 | 1.00 | ADORA2A (0.54) | ADORA2AADORA2BCYP1A2MEN1KMT2A | |
| SCHEMBL14917346 | 1.00 | ADORA2A (0.54) | ADORA2AADORA2BCYP1A2MEN1KMT2A | |
| SCHEMBL1042637 | 1.00 | ADORA2A (0.54) | ADORA2AADORA2BCYP1A2MEN1KMT2A | |
| SCHEMBL29388193 | 0.99 | ADORA2A (0.53) | ADORA2AADORA2BCYP1A2MEN1KMT2A | |
| SCHEMBL19645975 | 0.93 | ADORA2A (0.53) | ADORA2AADORA2BCYP1A2ADORA1ADORA3 | |
| SCHEMBL62505 | 0.89 | CYP2C19 (0.62) | ADORA2AADORA2BCYP1A2ADORA1ADORA3 | |
| SCHEMBL343478 | 0.89 | CYP2C19 (0.62) | ADORA2AADORA2BCYP1A2ADORA1ADORA3 | |
| SCHEMBL14931005 | 0.89 | CYP2C19 (0.62) | ADORA2AADORA2BCYP1A2ADORA1ADORA3 | |
| SCHEMBL18512921 | 0.89 | CYP2C19 (0.62) | ADORA2AADORA2BCYP1A2ADORA1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170044619-A1 | PROFILING CHEMICALLY MODIFIED DNA/RNA UNITS FOR DISEASE AND CANCER DIAGNOSIS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK | 2017-02-16 | — | — | US | disclosed |