Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12697804 | 0.76 | PDE7A (0.43) | ALDH1A1LMNATP53MAPTADORA2A | |
| SCHEMBL26022693 | 0.68 | NOS1 (0.48) | MAPTNOS3NOS1 | |
| SCHEMBL13955039 | 0.68 | NOS1 (0.43) | ALDH1A1LMNANOS3NOS1 | |
| SCHEMBL18685321 | 0.68 | NOS3 (0.35) | ALDH1A1NOS3NOS1 | |
| SCHEMBL18535492 | 0.68 | HTR2A (0.37) | — | |
| SCHEMBL25045333 | 0.67 | PDE7A (0.40) | ADORA2A | |
| SCHEMBL22596444 | 0.67 | NOS3 (0.34) | ALDH1A1NOS3NOS1 | |
| SCHEMBL13621504 | 0.66 | — | — | |
| SCHEMBL8341378 | 0.64 | PARP2 (0.42) | ALDH1A1LMNATP53MAPT | |
| SCHEMBL20845601 | 0.63 | — | — |
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-2670765-B1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 4) LTD (GB) | 2017-10-18 | — | — | EP | disclosed |