Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.43 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL8549100 | 0.87 | DRD4 (0.47) | DRD4DRD2HTR1AHTR1D | |
| SCHEMBL8550036 | 0.87 | DRD4 (0.47) | DRD4DRD2HTR1AHTR1D | |
| SCHEMBL8553551 | 0.87 | DRD4 (0.48) | DRD4CHRNA10CHRNA9DRD2HTR1A | |
| SCHEMBL8550687 | 0.87 | DRD4 (0.48) | DRD4DRD2HTR1AHTR1D | |
| SCHEMBL8551575 | 0.87 | DRD4 (0.48) | DRD4DRD2HTR1ACYP1A2HTR1D | |
| SCHEMBL8549471 | 0.87 | DRD4 (0.48) | DRD4DRD2DRD3HTR1AHTR1D | |
| SCHEMBL8550252 | 0.86 | DRD4 (0.59) | DRD4DRD2DRD3SLC2A1HTR1A | |
| SCHEMBL8549843 | 0.85 | DRD4 (0.46) | DRD4DRD2DRD3HTR1AHTR1D | |
| SCHEMBL8549485 | 0.85 | DRD4 (0.48) | DRD4DRD2HTR1AHTR1D | |
| SCHEMBL8549415 | 0.84 | DRD4 (0.49) | DRD4DRD2HTR1AHTR1D |
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 1 patent. 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 |