Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 12/20 | 0.86 |
| ▸ | DRD2 | P14416 | 9/20 | 0.82 |
| ▸ | HTR2A | P28223 | 7/20 | 0.82 |
| ▸ | HTR1A | P08908 | 7/20 | 0.82 |
| ▸ | DRD4 | P21917 | 6/20 | 0.82 |
| ▸ | HTR1B | P28222 | 4/20 | 0.82 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808806 | 0.95 | HTR1D (0.91) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL6871704 | 0.93 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8549468 | 0.93 | HTR1D (0.86) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8811483 | 0.93 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8548667 | 0.93 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL31074173 | 0.93 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8550249 | 0.92 | HTR1D (0.85) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8550031 | 0.91 | HTR1D (0.83) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8809232 | 0.91 | HTR1D (0.83) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8548774 | 0.91 | HTR1D (0.93) | HTR1DDRD2HTR2AHTR1ADRD4 |
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 |