Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 9/20 | 0.33 |
| ▸ | DRD2 | P14416 | 7/20 | 0.33 |
| ▸ | HTR2A | P28223 | 7/20 | 0.33 |
| ▸ | HTR1A | P08908 | 5/20 | 0.33 |
| ▸ | DRD4 | P21917 | 4/20 | 0.33 |
| ▸ | HTR1B | P28222 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549512 | 0.80 | MAPT (0.38) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL5088620 | 0.79 | PNMT (0.41) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL5090707 | 0.79 | PNMT (0.41) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL6811491 | 0.79 | HTR1D (0.34) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL5088651 | 0.79 | HTR1D (0.36) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL5092141 | 0.79 | HTR1D (0.34) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL6812993 | 0.79 | HTR1D (0.36) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL20699974 | 0.76 | DRD1 (0.49) | MAPTHTTHTR1DDRD2HTR2A | |
| SCHEMBL20718641 | 0.76 | MAPT (0.41) | MAPTHTTDRD2HTR2AHTR1A | |
| SCHEMBL28745705 | 0.74 | MAPT (0.39) | MAPTHTTHTR1DDRD2HTR2A |
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 | disclosed |