Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 13/20 | 0.78 |
| ▸ | DRD2 | P14416 | 7/20 | 0.78 |
| ▸ | HTR2A | P28223 | 6/20 | 0.78 |
| ▸ | HTR1B | P28222 | 6/20 | 0.78 |
| ▸ | HTR1A | P08908 | 4/20 | 0.78 |
| ▸ | DRD4 | P21917 | 3/20 | 0.78 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8548563 | 1.00 | HTR1D (0.78) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL8811237 | 0.89 | HTR1D (0.67) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL30628146 | 0.88 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL8549606 | 0.88 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL7401976 | 0.88 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL5595821 | 0.88 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL20921227 | 0.83 | HTR1D (0.90) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL8550465 | 0.82 | HTR1D (0.55) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL8809830 | 0.82 | HTR1D (0.55) | HTR1DDRD2HTR2AHTR1BHTR1A | |
| SCHEMBL7401836 | 0.80 | DRD2 (0.74) | 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 4 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 | claimed |
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | claimed |
| 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 |