Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25692026 | 0.86 | TRPA1 (0.36) | HDAC4HDAC2HDAC8SMN1; SMN2 | |
| SCHEMBL13808929 | 0.78 | LMNA (0.34) | ESR1ESR2GRIN1GRIN2AGRIN2D | |
| SCHEMBL3809392 | 0.78 | GRIN1 (0.35) | ESR1ESR2GRIN1GRIN2AGRIN2D | |
| SCHEMBL2135458 | 0.78 | ESR1 (0.32) | ESR1ESR2GRIN1GRIN2AGRIN2D | |
| SCHEMBL4015805 | 0.71 | GRIN1 (0.40) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL9308983 | 0.71 | GRIA4 (0.35) | ESR1ESR2GRIN1GRIN2AGRIN2D | |
| SCHEMBL12869931 | 0.68 | ESR1 (0.36) | ESR1ESR2GRIN1GRIN2AGRIN2D | |
| SCHEMBL8558582 | 0.68 | TSHR (0.42) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL28837033 | 0.68 | GRIN1 (0.46) | GRIN1GRIN2AGRIN2DGRIN2CGRIN2B | |
| SCHEMBL19102655 | 0.68 | KIF11 (0.33) | — |
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-2018109337-A1 | METHOD FOR SYNTHESIS OF MODIFIED DIENE POLYMERS BY GROUPS DERIVED FROM A POLYCYCLIC AROMATIC HYDROCARBON, PRODUCT OBTAINED FROM SAID METHOD AND COMPOSITION CONTAINING SAME | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2018-06-21 | — | — | WO | disclosed |