Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 3/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.38 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524906 | 0.87 | CALCA (0.40) | CALCAHTR7KCNH2 | |
| SCHEMBL17506417 | 0.87 | CALCA (0.40) | CALCAGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17524937 | 0.86 | ME2 (0.40) | CALCACRBNKCNH2 | |
| SCHEMBL17525083 | 0.84 | CRBN (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL17525112 | 0.82 | SCN9A (0.43) | CALCACRBNCYP2C9SCN9A | |
| SCHEMBL17525014 | 0.82 | CALCA (0.38) | CALCACRBNKCNH2 | |
| SCHEMBL17524934 | 0.81 | CALCA (0.39) | CALCAOTUD7B | |
| SCHEMBL17524991 | 0.80 | DRD2 (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL17524997 | 0.80 | EGLN1 (0.43) | CALCAHTR7KCNH2 | |
| SCHEMBL1700112 | 0.79 | CALCA (0.49) | CALCAOTUD7B |
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 |