Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 4/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 8/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL3729328 | 0.92 | BDKRB1 (0.36) | BDKRB1CNR1LIMK1LIMK2FAAH | |
| SCHEMBL3722571 | 0.92 | CACNA1I (0.36) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL3722347 | 0.91 | CACNA1I (0.36) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL13191405 | 0.91 | BDKRB1 (0.45) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL3722413 | 0.90 | CACNA1I (0.37) | CACNA1ICACNA1GCACNA1HBDKRB1CNR1 | |
| SCHEMBL3725902 | 0.90 | CACNA1I (0.37) | CACNA1ICACNA1GCACNA1HBDKRB1CNR1 | |
| SCHEMBL3722299 | 0.87 | CNR1 (0.46) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL3723568 | 0.87 | VNN1 (0.38) | CACNA1IBDKRB1CNR1HPGDS | |
| Trifluoroacetic Acid SCHEMBL3729327 | 0.85 | CACNA1I (0.40) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL3728225 | 0.84 | CNR1 (0.42) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010097373-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |