Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.41 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3773551 | 0.93 | CALCRL (0.47) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL13062686 | 0.92 | CALCRL (0.49) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL15935909 | 0.88 | CALCRL (0.39) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL14146293 | 0.84 | CALCRL (0.56) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL440106 | 0.84 | CALCRL (0.56) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL13062476 | 0.84 | CALCRL (0.39) | CALCRLKCNH2 | |
| SCHEMBL13062475 | 0.83 | CALCRL (0.39) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL13062687 | 0.80 | KCNH2 (0.40) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL13062692 | 0.78 | CALCRL (0.51) | CALCRLKCNH2RAMP1 | |
| SCHEMBL15701572 | 0.77 | CALCRL (0.56) | CALCRLKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796260-B2 | Imidazobenzazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-08-05 | — | — | US | disclosed |
| WO-2009105348-A1 | IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-08-27 | — | — | WO | disclosed |