Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
| ▸ | KLK1 | P06870 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL16404400 | 0.93 | BDKRB1 (0.34) | BDKRB1BACE1HTTCNR2KLKB1 | |
| SCHEMBL16404404 | 0.92 | BDKRB1 (0.37) | BDKRB1BACE1HDAC1ROCK2CNR2 | |
| SCHEMBL16404396 | 0.91 | BDKRB1 (0.35) | BDKRB1BACE1HTTROCK2KCNH2 | |
| SCHEMBL11906030 | 0.90 | BDKRB1 (0.36) | BDKRB1BACE1HDAC1HTT | |
| SCHEMBL673233 | 0.90 | BDKRB1 (0.36) | BDKRB1BACE1HDAC1HTT | |
| SCHEMBL16404423 | 0.89 | BDKRB1 (0.34) | BDKRB1BACE1HTTCNR2ADORA2A | |
| SCHEMBL16404412 | 0.89 | CXCR1 (0.33) | BDKRB1BACE1HDAC1ROCK2CNR2 | |
| SCHEMBL16404394 | 0.89 | BDKRB1 (0.39) | BDKRB1BACE1HDAC1HTTADORA2A | |
| SCHEMBL16404413 | 0.87 | HDAC1 (0.31) | BACE1HDAC1ROCK2CNR2 | |
| SCHEMBL16404439 | 0.86 | EPHX2 (0.36) | BDKRB1BACE1HTT |
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-8937073-B2 | Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-20 | — | — | US | disclosed |