Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 5/20 | 0.35 |
| ▸ | HRH2 | P25021 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.34 |
| ▸ | PPIA | P62937 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL741447 | 1.00 | ADORA2A (0.36) | ADORA2APADI4HRH1HRH2CTSB | |
| SCHEMBL762577 | 0.92 | CTSB (0.36) | ADORA2APADI4HRH1HRH2CTSB | |
| SCHEMBL762559 | 0.92 | KCNH2 (0.39) | PADI4HRH1HRH2CTSBCTSS | |
| SCHEMBL762648 | 0.92 | HRH1 (0.36) | ADORA2APADI4HRH1HRH2CTSB | |
| SCHEMBL762785 | 0.92 | HRH1 (0.42) | PADI4HRH1CTSBCTSSCTSK | |
| SCHEMBL763206 | 0.92 | HRH1 (0.40) | PADI4HRH1CTSBCTSSCTSK | |
| SCHEMBL762657 | 0.92 | PPARA (0.36) | ADORA2APADI4HRH1HRH2CTSB | |
| SCHEMBL762513 | 0.92 | KCNH2 (0.36) | PADI4HRH1CTSBCTSSCTSK | |
| SCHEMBL763244 | 0.90 | ADORA2A (0.41) | ADORA2AHRH1HRH2CTSBCTSS | |
| SCHEMBL762582 | 0.90 | CASR (0.37) | PADI4HRH1CTSBCTSSCTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |