Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 4/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19501769 | 0.82 | NR1I2 (0.37) | APLNR | |
| SCHEMBL19123072 | 0.78 | APLNR (0.50) | APLNRCCR1CCR5CCR8HDAC6 | |
| SCHEMBL22395438 | 0.78 | APLNR (0.50) | APLNRCCR1CCR5CCR8HDAC6 | |
| SCHEMBL19231983 | 0.78 | ESR1 (0.34) | ESR1ESR2NOS3NOS2NOS1 | |
| SCHEMBL15274466 | 0.76 | APLNR (0.54) | APLNRCCR1CCR5CCR8HDAC6 | |
| SCHEMBL12464828 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL18254269 | 0.73 | APLNR (0.41) | APLNR | |
| SCHEMBL18428184 | 0.73 | APLNR (0.41) | APLNR | |
| SCHEMBL2629790 | 0.72 | HSP90AA1 (0.33) | ESR1ESR2 | |
| SCHEMBL18428179 | 0.72 | APLNR (0.49) | APLNR |
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-3321261-B1 | HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES | CURIS INC (US) | 2020-06-17 | — | — | EP | disclosed |