Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | HTR7 | P34969 | 4/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL17525019 | 0.89 | MAPK1 (0.41) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17524997 | 0.84 | EGLN1 (0.43) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17506417 | 0.84 | CALCA (0.40) | CALCAHTR7ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL17524949 | 0.84 | CALCA (0.41) | CALCAHTR7CALCRLOTUD7B | |
| SCHEMBL17524938 | 0.83 | HTR7 (0.45) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17524940 | 0.83 | CALCA (0.40) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17524935 | 0.83 | GAA (0.44) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17524910 | 0.83 | EGLN1 (0.43) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17525077 | 0.81 | HTR7 (0.46) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17524933 | 0.81 | CALCA (0.40) | CALCAHTR1AHTR2AHTR7HTR6 |
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 |