Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8612795 | 1.00 | GRIN1 (0.40) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL28312127 | 0.83 | GRIN1 (0.42) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL27290911 | 0.81 | LMNA (0.39) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL8612132 | 0.81 | LMNA (0.39) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL8677180 | 0.75 | CYP2C19 (0.41) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL28109011 | 0.74 | ALDH1A1 (0.37) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL297345 | 0.74 | CYP2C19 (0.46) | SMN1; SMN2CYP2C19HIF1AALDH1A1LMNA | |
| SCHEMBL10617967 | 0.74 | CYP2C19 (0.46) | SMN1; SMN2CYP2C19HIF1AALDH1A1LMNA | |
| SCHEMBL1059924 | 0.73 | TAAR1 (0.46) | CYP2C19HIF1AALDH1A1TAAR1ALOX15 | |
| SCHEMBL14048976 | 0.73 | CYP3A4 (0.43) | RIPK1SMN1; SMN2ALDH1A1CYP2D6LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1039642-C | Derivative of hexahydronaphthalene ester, their preparation and their therapeutic uses | SANKYO CO (JP) | 1998-09-02 | — | — | CN | disclosed |
| CN-1094707-A | Hexahydro-naphthalene ester derivative, their preparation and their application aspect treatment | SANKYO CO (JP) | 1994-11-09 | — | — | CN | disclosed |