Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 6/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.37 |
| ▸ | LCAT | P04180 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD1 | P21728 | 3/20 | 0.35 |
| ▸ | DRD5 | P21918 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL17524992 | 0.84 | CALCA (0.39) | CRBNLCATGRIN2DGRIN3BGRIN1 | |
| SCHEMBL17524991 | 0.80 | DRD2 (0.38) | CRBNLCATGRIN2DGRIN3BGRIN1 | |
| SCHEMBL15935920 | 0.79 | FGFR1 (0.38) | — | |
| SCHEMBL29388502 | 0.76 | MAP3K11 (0.39) | — | |
| SCHEMBL30748859 | 0.74 | MAP3K11 (0.43) | — | |
| SCHEMBL30748975 | 0.74 | MAP3K11 (0.46) | — | |
| SCHEMBL17525060 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL30749023 | 0.72 | MAP3K11 (0.45) | — | |
| SCHEMBL15935911 | 0.72 | CALCRL (0.39) | — | |
| SCHEMBL13748469 | 0.71 | BACE1 (0.36) | — |
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 |