Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.37 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL13062687 | 0.92 | KCNH2 (0.40) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL13748824 | 0.88 | CALCRL (0.48) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL439306 | 0.85 | CALCRL (0.54) | CALCRLKCNH2CYP3A4 | |
| SCHEMBL15701569 | 0.85 | CALCRL (0.54) | CALCRLKCNH2CYP3A4 | |
| SCHEMBL14146300 | 0.85 | CALCRL (0.54) | CALCRLKCNH2CYP3A4 | |
| SCHEMBL3773551 | 0.81 | CALCRL (0.47) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL13062686 | 0.80 | CALCRL (0.49) | CALCRLKCNH2RAMP1MRGPRX2 | |
| SCHEMBL13062691 | 0.78 | CALCRL (0.40) | CALCRLCYP3A4 | |
| SCHEMBL15701573 | 0.78 | CALCRL (0.64) | CALCRLCYP3A4 | |
| SCHEMBL14146293 | 0.77 | CALCRL (0.56) | CALCRLKCNH2RAMP1MRGPRX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8796260-B2 | Imidazobenzazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-08-05 | — | — | US | disclosed |