Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | 9/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20614364 | 1.00 | HTR2A (0.37) | HTR2AHTR2CHTR2BALDH1A1CYP1A2 | |
| SCHEMBL19621827 | 0.83 | ESR2 (0.46) | HTR2AHTR2CHTR2BALDH1A1CYP1A2 | |
| SCHEMBL18472944 | 0.83 | ESR2 (0.46) | HTR2AHTR2CHTR2BALDH1A1CYP1A2 | |
| SCHEMBL24799881 | 0.78 | ESR2 (0.41) | HTR2AHTR2CHTR2BALDH1A1CYP1A2 | |
| SCHEMBL15451573 | 0.77 | HTR2A (0.34) | HTR2AHTR2CHTR2BALDH1A1CYP1A2 | |
| SCHEMBL15451569 | 0.76 | PKM (0.33) | HTR2AHTR2CHTR2BALDH1A1CYP1A2 | |
| SCHEMBL13295693 | 0.76 | LMNA (0.43) | HTR2AHTR2CHTR2BALDH1A1CYP1A2 | |
| SCHEMBL10291264 | 0.74 | NPC1 (0.38) | — | |
| SCHEMBL17666384 | 0.73 | ESR2 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4400230 | 0.73 | KDM1A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2883934-B1 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |
| EP-2855628-B1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2017-09-06 | — | — | EP | disclosed |