Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 4/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549757 | 0.90 | DRD3 (0.59) | CD274EPHX2DRD3HTR1ADRD2 | |
| SCHEMBL8548777 | 0.89 | HTR1D (0.54) | HTR1ADRD2DRD4 | |
| SCHEMBL8553219 | 0.89 | HTR1A (0.52) | DRD3HTR1ADRD2DRD4 | |
| SCHEMBL8551190 | 0.88 | HTR1A (0.64) | CD274DRD3HTR1ADRD2DRD4 | |
| SCHEMBL8550457 | 0.86 | HTR1A (0.51) | DRD3HTR1ADRD2DRD4 | |
| SCHEMBL8549853 | 0.85 | DRD4 (0.65) | DRD3HTR1ADRD2DRD4 | |
| SCHEMBL8549479 | 0.85 | HTR1A (0.50) | DRD3HTR1ADRD2DRD4 | |
| SCHEMBL8549472 | 0.84 | HTR1A (0.49) | DRD3HTR1ADRD2DRD4 | |
| SCHEMBL8552310 | 0.84 | HTR1A (0.48) | DRD3HTR1ADRD2DRD4 | |
| SCHEMBL8549843 | 0.82 | DRD4 (0.46) | CD274EPHX2DRD3HTR1ASLC6A4 |
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-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | claimed |