Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 8/20 | 0.35 |
| ▸ | HTR1B | P28222 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 7/20 | 0.34 |
| ▸ | DRD2 | P14416 | 6/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5088620 | 0.86 | PNMT (0.41) | MAPTHTTHTR1DHTR1BHTR2A | |
| SCHEMBL5090707 | 0.86 | PNMT (0.41) | MAPTHTTHTR1DHTR1BHTR2A | |
| SCHEMBL28745705 | 0.83 | MAPT (0.39) | MAPTHTTHTR1DHTR1BHTR2A | |
| SCHEMBL7092030 | 0.83 | MAPT (0.39) | MAPTHTTHTR1DHTR1BHTR2A | |
| SCHEMBL20718641 | 0.83 | MAPT (0.41) | MAPTHTTHTR2ADRD2HTR1A | |
| SCHEMBL20699974 | 0.83 | DRD1 (0.49) | MAPTHTTHTR1DHTR1BHTR2A | |
| SCHEMBL8554069 | 0.80 | MAPT (0.34) | MAPTHTTHTR1DHTR1BHTR2A | |
| SCHEMBL20700301 | 0.79 | TAAR1 (0.55) | MAPTHTTDRD2HTR1ATAAR1 | |
| SCHEMBL20703561 | 0.79 | TAAR1 (0.55) | MAPTHTTDRD2HTR1ATAAR1 | |
| SCHEMBL5093605 | 0.78 | MAPT (0.43) | MAPTHTTHTR1DHTR1BSRD5A1 |
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-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |