Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17519187 | 0.89 | SIGMAR1 (0.49) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL22057767 | 0.79 | SIGMAR1 (0.50) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17519167 | 0.79 | SIGMAR1 (0.45) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17519176 | 0.75 | SIGMAR1 (0.47) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL25838728 | 0.72 | MEN1 (0.42) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17006483 | 0.70 | CHRM2 (0.37) | SIGMAR1 | |
| SCHEMBL17519162 | 0.68 | SIGMAR1 (0.48) | SIGMAR1 | |
| SCHEMBL17519178 | 0.68 | SIGMAR1 (0.50) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL21730512 | 0.68 | HRH3 (0.43) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL12381528 | 0.67 | — | — |
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-2016020200-A1 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | EVONIK DEGUSSA GMBH (DE) | 2016-02-11 | — | — | WO | disclosed |