Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3525776 | 1.00 | KCNH2 (0.46) | KCNH2TAAR1SIGMAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3522322 | 0.99 | KCNH2 (0.48) | KCNH2TAAR1 | |
| Hydrochloric Acid SCHEMBL3522320 | 0.99 | KCNH2 (0.48) | KCNH2TAAR1 | |
| SCHEMBL12012226 | 0.80 | TAAR1 (0.42) | TAAR1 | |
| SCHEMBL16056162 | 0.79 | GNAI3 (0.55) | KCNH2 | |
| Hydrochloric Acid SCHEMBL3519855 | 0.79 | TAAR1 (0.41) | TAAR1 | |
| Hydrochloric Acid SCHEMBL3519859 | 0.79 | TAAR1 (0.41) | TAAR1 | |
| SCHEMBL3781355 | 0.78 | SIGMAR1 (0.51) | KCNH2SIGMAR1 | |
| SCHEMBL3781357 | 0.78 | SIGMAR1 (0.51) | KCNH2SIGMAR1 | |
| SCHEMBL13019695 | 0.77 | MAOA (0.49) | KCNH2TAAR1 |
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-2241567-A1 | BICYCLOAMINE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2010-10-20 | — | — | EP | disclosed |