Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 8/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8548566 | 0.89 | OPRM1 (0.44) | MCHR1SIGMAR1DRD2OPRM1 | |
| SCHEMBL8550173 | 0.81 | MCHR1 (0.50) | MCHR1SIGMAR1DRD2OPRM1KDM1A | |
| SCHEMBL8551575 | 0.78 | DRD4 (0.48) | HRH3DRD2 | |
| SCHEMBL8553551 | 0.78 | DRD4 (0.48) | HRH3DRD2 | |
| SCHEMBL8549471 | 0.78 | DRD4 (0.48) | HRH3DRD2 | |
| SCHEMBL8550687 | 0.78 | DRD4 (0.48) | HRH3DRD2 | |
| SCHEMBL8550252 | 0.77 | DRD4 (0.59) | HRH3DRD2 | |
| SCHEMBL8550057 | 0.77 | DRD4 (0.48) | MCHR1HTT | |
| SCHEMBL8550036 | 0.77 | DRD4 (0.47) | HRH3DRD2HTT | |
| SCHEMBL8549100 | 0.77 | DRD4 (0.47) | HRH3DRD2 |
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 |