Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19621827 | 1.00 | ESR2 (0.46) | ESR2LMNAHTR2AHTR2CHTR2B | |
| SCHEMBL24799881 | 0.94 | ESR2 (0.41) | ESR2LMNAHTR2AHTR2CHTR2B | |
| SCHEMBL13295693 | 0.92 | LMNA (0.43) | LMNAHTR2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL20614364 | 0.83 | HTR2A (0.37) | ESR2HTR2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL19311575 | 0.83 | HTR2A (0.37) | ESR2HTR2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL19937427 | 0.81 | ESR2 (0.65) | ESR2LMNAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24597681 | 0.81 | ESR2 (0.65) | ESR2LMNAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15451574 | 0.80 | ESR2 (0.41) | ESR2LMNASLC18A3PKMTP53 | |
| SCHEMBL19624016 | 0.77 | SPHK1 (0.47) | SLC6A3 | |
| SCHEMBL16892913 | 0.77 | ESR2 (0.50) | ESR2LMNAHTR2AHTR2CHTR2B |
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-3127991-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-02-08 | — | — | EP | disclosed |