Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 16/20 | 0.60 |
| ▸ | HTR1A | P08908 | 12/20 | 0.60 |
| ▸ | HTR2A | P28223 | 12/20 | 0.60 |
| ▸ | HTR6 | P50406 | 12/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17525061 | 0.85 | HTR1A (0.58) | HTR7HTR1AHTR2AHTR6OPRM1 | |
| SCHEMBL17525106 | 0.80 | PDE7A (0.57) | HTR7HTR1AHTR2AHTR6 | |
| SCHEMBL17524916 | 0.79 | SCN9A (0.43) | HTR7HTR1AHTR2AHTR6 | |
| SCHEMBL17524923 | 0.79 | CALCA (0.41) | HTR7HTR1AHTR2AHTR6 | |
| SCHEMBL17525051 | 0.79 | MAPT (0.47) | HTR7HTR1AHTR2AHTR6 | |
| SCHEMBL13806582 | 0.79 | OPRM1 (0.59) | HTR7HTR1AHTR2AHTR6OPRM1 | |
| SCHEMBL318668 | 0.78 | BACE1 (0.68) | HTR7HTR1AHTR2AHTR6OPRM1 | |
| SCHEMBL29622026 | 0.78 | BACE1 (0.68) | HTR7HTR1AHTR2AHTR6OPRM1 | |
| SCHEMBL16144189 | 0.77 | OPRM1 (0.58) | HTR7HTR1AHTR2AHTR6OPRM1 | |
| SCHEMBL12891008 | 0.77 | OPRM1 (0.58) | HTR7HTR1AHTR2AHTR6OPRM1 |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |