Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 6/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12082322 | 0.92 | PYCR1 (0.52) | SIGMAR1KCNH2PYCR1CNR2NPSR1 | |
| SCHEMBL7768067 | 0.92 | SIGMAR1 (0.58) | SIGMAR1KCNH2ACHEMAOBMAOA | |
| SCHEMBL8720913 | 0.92 | SIGMAR1 (0.58) | SIGMAR1KCNH2ACHEMAOBMAOA | |
| SCHEMBL8720392 | 0.92 | SIGMAR1 (0.58) | SIGMAR1KCNH2ACHEMAOBMAOA | |
| SCHEMBL8722902 | 0.92 | SIGMAR1 (0.58) | SIGMAR1KCNH2ACHEMAOBMAOA | |
| SCHEMBL8724611 | 0.92 | SIGMAR1 (0.58) | SIGMAR1KCNH2ACHEMAOBMAOA | |
| SCHEMBL7764937 | 0.92 | SIGMAR1 (0.58) | SIGMAR1KCNH2ACHEMAOBMAOA | |
| SCHEMBL7764359 | 0.92 | SIGMAR1 (0.58) | SIGMAR1KCNH2ACHEMAOBMAOA | |
| SCHEMBL7128368 | 0.90 | SIGMAR1 (0.55) | SIGMAR1KCNH2PYCR1ACHEMAOB | |
| SCHEMBL16421936 | 0.87 | SIGMAR1 (0.53) | SIGMAR1KCNH2ACHEMAOBMAOA |
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-2943483-B1 | BENZYLAMINE DERIVATIVES | KALVISTA PHARMACEUTICALS LTD (GB) | 2017-03-01 | — | — | EP | disclosed |