Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 8/20 | 0.81 |
| ▸ | DRD2 | P14416 | 7/20 | 0.81 |
| ▸ | HTR2A | P28223 | 6/20 | 0.81 |
| ▸ | HTR1A | P08908 | 4/20 | 0.81 |
| ▸ | DRD4 | P21917 | 4/20 | 0.81 |
| ▸ | HTR1B | P28222 | 1/20 | 0.81 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549747 | 0.96 | HTR1D (0.78) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| Methane SCHEMBL8596364 | 0.95 | HTR1D (0.77) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8550141 | 0.92 | HTR1D (0.84) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8621436 | 0.90 | HTR1D (0.81) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8810266 | 0.90 | HTR1D (0.81) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL7401976 | 0.90 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL5595821 | 0.90 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL30628146 | 0.90 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8549606 | 0.90 | HTR1D (1.00) | HTR1DDRD2HTR2AHTR1ADRD4 | |
| SCHEMBL8554230 | 0.89 | HTR1D (0.80) | 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 3 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 |