Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | CALCA | P06881 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 7/20 | 0.39 |
| ▸ | DRD2 | P14416 | 6/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17525077 | 0.91 | HTR7 (0.46) | CALCAHTR1AHTR2AHTR7HTR6 | |
| SCHEMBL17524935 | 0.91 | GAA (0.44) | EGLN1CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524994 | 0.90 | CALCRL (0.40) | EGLN1CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524907 | 0.88 | MALT1 (0.41) | EGLN1CALCAKDM4ELMNA | |
| SCHEMBL17524901 | 0.86 | ADRA2B (0.40) | EGLN1CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524997 | 0.85 | EGLN1 (0.43) | EGLN1CALCADRD3HTR1AHTR2A | |
| SCHEMBL17525019 | 0.84 | MAPK1 (0.41) | CALCADRD4HTR1AHTR2AHTR7 | |
| SCHEMBL17524923 | 0.83 | CALCA (0.41) | CALCAKDM4EHTR1AHTR2AHTR7 | |
| SCHEMBL17525079 | 0.83 | KCNH2 (0.38) | EGLN1CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524909 | 0.83 | ADRA1A (0.38) | EGLN1CALCA |
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 |