Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 12/20 | 0.62 |
| ▸ | DRD2 | P14416 | 6/20 | 0.59 |
| ▸ | HTR2A | P28223 | 5/20 | 0.59 |
| ▸ | HTR1B | P28222 | 5/20 | 0.59 |
| ▸ | HTR1A | P08908 | 4/20 | 0.59 |
| ▸ | DRD4 | P21917 | 2/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8554144 | 0.89 | HTR1D (0.61) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL20906510 | 0.85 | HTR1D (0.48) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL6812048 | 0.84 | HTR1D (0.56) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL5093578 | 0.84 | HTR1D (0.56) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL8550172 | 0.84 | HTR1D (0.46) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL6811792 | 0.83 | HTR1D (0.55) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL6812173 | 0.83 | HTR1D (0.55) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL6808728 | 0.82 | HTR1D (0.45) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL8808806 | 0.80 | HTR1D (0.91) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL20906508 | 0.80 | HTR1D (0.43) | HTR1DDRD2HTR2AHTR1BHTR1A |
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 |