Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.48 |
| ▸ | HTR1D | P28221 | 6/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549609 | 0.90 | DRD4 (0.58) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8549547 | 0.89 | DRD4 (0.46) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8549843 | 0.89 | DRD4 (0.46) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8550849 | 0.89 | DRD4 (0.46) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8549415 | 0.88 | DRD4 (0.49) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8553971 | 0.87 | DRD4 (0.47) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8550036 | 0.87 | DRD4 (0.47) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8551575 | 0.87 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8550687 | 0.87 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8549471 | 0.87 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A |
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 | claimed |
| EP-0836599-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-22 | — | — | EP | disclosed |