Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | CALCA | P06881 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 5/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524942 | 0.90 | ADRA2B (0.40) | ADRA2BCALCAMAPTKCNH2EGLN1 | |
| SCHEMBL17524907 | 0.90 | MALT1 (0.41) | CALCAEGLN1LMNACALCRLALDH1A1 | |
| SCHEMBL17524909 | 0.89 | ADRA1A (0.38) | ADRA2BCALCAEGLN1CALCRL | |
| SCHEMBL17525080 | 0.89 | LRRK2 (0.39) | CALCAKCNH2EGLN1HTR7HTR1A | |
| SCHEMBL17525079 | 0.89 | KCNH2 (0.38) | CALCAKCNH2EGLN1HTR7HTR1A | |
| SCHEMBL17524910 | 0.86 | EGLN1 (0.43) | CALCAEGLN1HTR7LMNAHTR1A | |
| SCHEMBL17525077 | 0.84 | HTR7 (0.46) | CALCAMAPTHTR7LMNAHTR1A | |
| SCHEMBL17524994 | 0.83 | CALCRL (0.40) | CALCAEGLN1HTR7HTR1AHTR2A | |
| SCHEMBL17524935 | 0.82 | GAA (0.44) | CALCAEGLN1HTR7HTR1AHTR2A | |
| SCHEMBL17524933 | 0.82 | CALCA (0.40) | CALCAEGLN1HTR7LMNAHTR1A |
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 |