Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 3/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.37 |
| ▸ | PLD2 | O14939 | 1/20 | 0.37 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 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) | CALCACALCRLEGLN1IDH1ALDH1A1 | |
| SCHEMBL17524907 | 0.90 | MALT1 (0.41) | CALCAMALT1MAP3K11CALCRLEGLN1 | |
| SCHEMBL17524873 | 0.87 | HTR6 (0.38) | CALCACALCRLEGLN1HTR1AHTR2A | |
| SCHEMBL17524935 | 0.86 | GAA (0.44) | CALCAMALT1CALCRLEGLN1HTR1A | |
| SCHEMBL17524946 | 0.85 | CALCRL (0.38) | CALCACALCRLIDH1ALDH1A1HTR1A | |
| SCHEMBL17524957 | 0.85 | CALCA (0.38) | CALCACALCRLIDH1HTR1AHTR2A | |
| SCHEMBL17524951 | 0.85 | LTA4H (0.38) | CALCACALCRLHTR1AHTR2AHTR7 | |
| SCHEMBL17524940 | 0.84 | CALCA (0.40) | CALCACALCRLHTR1AHTR2AHTR7 | |
| SCHEMBL17524938 | 0.84 | HTR7 (0.45) | CALCAMALT1CALCRLLMNAHTR1A | |
| SCHEMBL17524901 | 0.82 | ADRA2B (0.40) | CALCAMALT1CALCRLEGLN1ALDH1A1 |
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 |