Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17185038 | 1.00 | AKR1C3 (0.39) | AKR1C3AKR1C2CHRNA7NOTUM | |
| SCHEMBL17185042 | 1.00 | AKR1C3 (0.39) | AKR1C3AKR1C2CHRNA7NOTUM | |
| SCHEMBL2107631 | 0.75 | AKR1C3 (0.40) | AKR1C3AKR1C2NOTUM | |
| SCHEMBL15320526 | 0.67 | CHRNA7 (0.34) | CHRNA7 | |
| SCHEMBL6923393 | 0.67 | CHRNA7 (0.34) | CHRNA7 | |
| SCHEMBL4453401 | 0.66 | — | — | |
| SCHEMBL5771268 | 0.66 | — | — | |
| SCHEMBL18319142 | 0.66 | LMNA (0.37) | AKR1C3AKR1C2NOTUM | |
| SCHEMBL19277294 | 0.66 | LMNA (0.37) | AKR1C3AKR1C2NOTUM | |
| SCHEMBL6922726 | 0.66 | HTR6 (0.36) | CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015161011-A1 | BENZAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |