Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.57 |
| ▸ | SLC18A3 | Q16572 | 11/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8727996 | 1.00 | ESR2 (0.57) | ESR2SLC18A3CYP2D6SIGMAR1TSHR | |
| SCHEMBL2778652 | 0.93 | ESR2 (0.64) | ESR2SLC18A3CYP2D6SIGMAR1TSHR | |
| SCHEMBL6583115 | 0.93 | ESR2 (0.64) | ESR2SLC18A3CYP2D6SIGMAR1TSHR | |
| SCHEMBL557667 | 0.93 | ESR2 (0.64) | ESR2SLC18A3CYP2D6SIGMAR1TSHR | |
| Hydrogen Peroxide SCHEMBL2353767 | 0.83 | SLC18A3 (0.64) | SLC18A3CYP2D6SIGMAR1TSHRSMN1; SMN2 | |
| SCHEMBL11027045 | 0.82 | AKR1C3 (0.50) | ESR2SLC18A3CYP2D6SIGMAR1TSHR | |
| SCHEMBL7265967 | 0.81 | NPC1 (0.65) | ESR2SLC18A3CYP2D6SIGMAR1TSHR | |
| SCHEMBL190417 | 0.81 | SLC18A3 (0.67) | SLC18A3CYP2D6SIGMAR1SMN1; SMN2AKR1C3 | |
| SCHEMBL41763 | 0.81 | — | — | |
| SCHEMBL779924 | 0.80 | SLC18A3 (0.55) | SLC18A3CYP2D6SIGMAR1TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |