Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 15/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7861681 | 0.85 | KCNH2 (0.60) | KCNH2SIGMAR1P2RX7 | |
| SCHEMBL8716803 | 0.81 | KCNH2 (0.46) | KCNH2SIGMAR1P2RX7EPHX2 | |
| SCHEMBL7854880 | 0.81 | SIGMAR1 (0.45) | KCNH2SIGMAR1P2RX7 | |
| SCHEMBL7860176 | 0.80 | KCNH2 (0.44) | KCNH2SIGMAR1P2RX7 | |
| SCHEMBL7861359 | 0.77 | KDM4E (0.46) | KCNH2SIGMAR1P2RX7EPHX2 | |
| SCHEMBL7860301 | 0.74 | KCNH2 (0.45) | KCNH2SIGMAR1P2RX7 | |
| SCHEMBL7861646 | 0.73 | KCNH2 (0.50) | KCNH2SIGMAR1P2RX7 | |
| SCHEMBL7860165 | 0.72 | SIGMAR1 (0.51) | KCNH2SIGMAR1P2RX7 | |
| SCHEMBL7039896 | 0.70 | KCNH2 (0.57) | KCNH2SIGMAR1P2RX7 | |
| SCHEMBL7046314 | 0.70 | KCNH2 (0.61) | KCNH2SIGMAR1P2RX7 |
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-0830350-B1 | N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,5]DIAZEPIN-3-YL)-ACETAMIDES | MERCK & CO INC (US) | 2001-10-04 | — | — | EP | claimed |