Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.36 |
| ▸ | TDO2 | P48775 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9785330 | 1.00 | HTR2A (0.38) | HTR2AHTR2CHTR2BIDO1TDO2 | |
| SCHEMBL19303582 | 0.88 | PDE3B (0.39) | HTR2AHTR2CHTR2B | |
| SCHEMBL13408478 | 0.86 | SLC6A2 (0.38) | HTR2AHTR2CHTR2BSLC6A2SLC6A3 | |
| SCHEMBL13614390 | 0.84 | — | — | |
| SCHEMBL15180942 | 0.84 | CYP11B1 (0.34) | IDO1TDO2SLC6A2SLC6A3CHRNB2 | |
| SCHEMBL10014152 | 0.84 | HTR2A (0.33) | HTR2AHTR2CHTR2BIDO1TDO2 | |
| SCHEMBL10432573 | 0.84 | HTR2A (0.33) | HTR2AHTR2CHTR2BIDO1TDO2 | |
| SCHEMBL17192663 | 0.81 | CYP11B1 (0.33) | IDO1TDO2KDM1A | |
| SCHEMBL9763646 | 0.81 | — | — | |
| SCHEMBL9150009 | 0.81 | HTR2A (0.38) | HTR2AHTR2CHTR2BIDO1TDO2 |
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-2630217-B1 | SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-10-26 | — | — | EP | disclosed |