Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL609813 | 0.97 | BCHE (0.49) | BCHEMAPTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL19088853 | 0.94 | MAPT (0.45) | BCHEMAPTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL608707 | 0.87 | TSHR (0.47) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL818826 | 0.86 | OPRK1 (0.57) | BCHEDRD2OPRM1DRD3OPRD1 | |
| SCHEMBL14732594 | 0.84 | BCHE (0.42) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL609108 | 0.83 | TDP1 (0.46) | BCHEMAPTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL8577448 | 0.82 | TSHR (0.43) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL27294328 | 0.81 | SIGMAR1 (0.45) | BCHEDRD2OPRM1DRD3OPRD1 | |
| SCHEMBL18493203 | 0.80 | MAPT (0.56) | BCHEMAPTKCNH2 | |
| SCHEMBL14356831 | 0.79 | TSHR (0.46) | BCHEMAPTTP53TDP1MEN1 |
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-2017116272-A1 | METHOD FOR PREPARING TERTIARY AMINES COMPRISING ETHYNYLBENZYL SUBSTITUENTS | PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) | 2017-07-06 | — | — | WO | disclosed |