Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 7/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 6/20 | 0.38 |
| ▸ | CALCRL | Q16602 | 5/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CALCA | P06881 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17524946 | 0.90 | CALCRL (0.38) | ADRA1AADRA1BADRA1DCALCRLADRA2B | |
| SCHEMBL17524901 | 0.89 | ADRA2B (0.40) | CALCRLADRA2BCALCAEGLN1 | |
| SCHEMBL17524907 | 0.86 | MALT1 (0.41) | CALCRLCALCAIDH1EGLN1 | |
| SCHEMBL17525079 | 0.85 | KCNH2 (0.38) | CALCRLCALCAIDH1EGLN1 | |
| SCHEMBL17525080 | 0.85 | LRRK2 (0.39) | CALCRLCALCACYP3A4EGLN1 | |
| SCHEMBL17524910 | 0.83 | EGLN1 (0.43) | CALCAEGLN1 | |
| SCHEMBL17524994 | 0.82 | CALCRL (0.40) | CALCRLCALCACYP3A4CYP2C19RAMP1 | |
| SCHEMBL17525077 | 0.81 | HTR7 (0.46) | CALCA | |
| SCHEMBL17524935 | 0.79 | GAA (0.44) | CALCRLCALCAEGLN1 | |
| SCHEMBL17524942 | 0.79 | ADRA2B (0.40) | CALCRLADRA2BCALCAIDH1EGLN1 |
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 |