Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | HTR5A | P47898 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RB1 | P06400 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29824262 | 0.81 | LMNA (0.36) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL11227371 | 0.80 | HDAC3 (0.38) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL8663600 | 0.80 | HDAC3 (0.38) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL5793241 | 0.80 | KDM4E (0.49) | HTR2AHTR2CMAPK1KDM4EHSD17B10 | |
| SCHEMBL8664937 | 0.78 | HDAC3 (0.37) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL3927394 | 0.75 | HTR2A (0.67) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL30223611 | 0.75 | HTR2A (0.67) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL844491 | 0.75 | HTR2A (0.67) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL15307679 | 0.74 | HTR2A (0.65) | HTR2AHTR2CALOX15MAPK1KDM4E | |
| SCHEMBL11603678 | 0.71 | HTR2A (0.57) | HTR2AHTR2CALOX15MAPK1KDM4E |
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-1868600-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY | GRUENENTHAL GMBH (DE) | 2012-06-27 | — | — | EP | disclosed |