Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 6/20 | 0.38 |
| ▸ | CALCA | P06881 | 4/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524909 | 0.90 | ADRA1A (0.38) | CALCRLCALCAADRA2BIDH1ADRA1D | |
| SCHEMBL17524942 | 0.87 | ADRA2B (0.40) | CALCRLCALCAADRA2BIDH1HTR1A | |
| SCHEMBL17524933 | 0.85 | CALCA (0.40) | CALCRLCALCAIDH1HTR1AHTR2A | |
| SCHEMBL17524951 | 0.85 | LTA4H (0.38) | CALCRLCALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524957 | 0.85 | CALCA (0.38) | CALCRLCALCAIDH1HTR1AHTR2A | |
| SCHEMBL17524873 | 0.83 | HTR6 (0.38) | CALCRLCALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524940 | 0.82 | CALCA (0.40) | CALCRLCALCAPTPN11HTR1AHTR2A | |
| SCHEMBL17524935 | 0.80 | GAA (0.44) | CALCRLCALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524938 | 0.80 | HTR7 (0.45) | CALCRLCALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524901 | 0.78 | ADRA2B (0.40) | CALCRLCALCAADRA2BHTR1AHTR2A |
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 |