Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | IP6K1 | Q92551 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20093537 | 0.86 | HRH4 (0.45) | HTTMAPK1ADORA3ADORA2AADORA1 | |
| SCHEMBL8830247 | 0.81 | CHUK (0.48) | HTTMAPK1TP53IP6K1LMNA | |
| SCHEMBL2229901 | 0.81 | NPY5R (0.43) | HTTMAPK1TP53LMNAALOX15 | |
| SCHEMBL14183741 | 0.81 | HTT (0.41) | HTTMAPK1TP53IP6K1LMNA | |
| SCHEMBL4513985 | 0.80 | TLR7 (0.47) | HTTMAPK1TP53IP6K1LMNA | |
| SCHEMBL16211583 | 0.80 | CNR2 (0.43) | — | |
| SCHEMBL14183776 | 0.80 | ABCB1 (0.46) | HTTMAPK1TP53LMNAALOX15 | |
| SCHEMBL14183739 | 0.79 | ADORA3 (0.42) | HTTMAPK1TP53IP6K1LMNA | |
| SCHEMBL14071956 | 0.79 | NPY5R (0.46) | HTTMAPK1TP53LMNAALOX15 | |
| SCHEMBL8830437 | 0.79 | CHUK (0.50) | HTTMAPK1TP53IP6K1LMNA |
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-2991987-B1 | PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS | HOFFMANN LA ROCHE (CH) | 2018-05-23 | — | — | EP | disclosed |