Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 5/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.42 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | HTR1D | P28221 | 4/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549845 | 0.89 | HRH3 (0.49) | OPRM1DRD2MCHR1SIGMAR1 | |
| SCHEMBL8549609 | 0.86 | DRD4 (0.58) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8549415 | 0.77 | DRD4 (0.49) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8549485 | 0.76 | DRD4 (0.48) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8550263 | 0.76 | DRD4 (0.48) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8550144 | 0.75 | DRD2 (0.50) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8550687 | 0.75 | DRD4 (0.48) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8551575 | 0.75 | DRD4 (0.48) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8549471 | 0.75 | DRD4 (0.48) | DRD2DRD4HTR1DHTR2AHTR1A | |
| SCHEMBL8553551 | 0.75 | DRD4 (0.48) | DRD2DRD4HTR1DHTR2AHTR1A |
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 |