Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.50 |
| ▸ | HTR2A | P28223 | 6/20 | 0.50 |
| ▸ | HTR1D | P28221 | 5/20 | 0.50 |
| ▸ | HTR1A | P08908 | 4/20 | 0.50 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SOD1 | P00441 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550575 | 0.94 | DRD2 (0.49) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8548703 | 0.92 | DRD2 (0.48) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8550482 | 0.91 | DRD2 (0.49) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8550532 | 0.90 | DRD2 (0.47) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8554232 | 0.90 | DRD2 (0.47) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8549609 | 0.89 | DRD4 (0.58) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8549749 | 0.89 | HTR2A (0.47) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8550003 | 0.85 | HTR2A (0.48) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8552920 | 0.83 | HTR2A (0.46) | DRD2HTR2AHTR1DHTR1ADRD4 | |
| SCHEMBL8549853 | 0.83 | DRD4 (0.65) | DRD2HTR2AHTR1DHTR1ADRD4 |
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 |