Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 6/20 | 0.38 |
| ▸ | DRD2 | P14416 | 6/20 | 0.38 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | HTR1A | P08908 | 5/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550036 | 0.88 | DRD4 (0.47) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8550687 | 0.87 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8551575 | 0.87 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8549471 | 0.87 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8553551 | 0.87 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8550263 | 0.87 | DRD4 (0.48) | DRD4CASRHTR1DDRD2HTR2A | |
| SCHEMBL8549609 | 0.87 | DRD4 (0.58) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8550252 | 0.87 | DRD4 (0.59) | DRD4DRD2HTR2AHTR1AHRH3 | |
| SCHEMBL8550849 | 0.86 | DRD4 (0.46) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8549843 | 0.86 | DRD4 (0.46) | 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 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 | disclosed |