Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.55 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8780413 | 0.87 | DRD2 (0.50) | DRD2SIGMAR1CHRNA7HTR1AHTR2A | |
| SCHEMBL740054 | 0.85 | CHRNA7 (0.58) | DRD2SIGMAR1CHRNA7HTR1ADRD4 | |
| SCHEMBL14896053 | 0.84 | CHRNA7 (0.49) | DRD2SIGMAR1CHRNA7HTR1AHTR2A | |
| SCHEMBL17151266 | 0.80 | HRH3 (0.44) | DRD2DRD4MAPK1HSD17B10MAPT | |
| SCHEMBL9825418 | 0.79 | HTR1A (0.50) | DRD2SIGMAR1CHRNA7HTR1AHTR2A | |
| SCHEMBL13676451 | 0.78 | CHRNA7 (0.42) | DRD2SIGMAR1CHRNA7HTR1AHTR2A | |
| SCHEMBL16104935 | 0.76 | — | — | |
| SCHEMBL2115191 | 0.75 | CHRNA7 (0.53) | DRD2SIGMAR1CHRNA7HTR1ADRD4 | |
| SCHEMBL27517511 | 0.75 | OPRM1 (0.56) | HTR1AHTR2AHRH1DRD3KCNH2 | |
| Hydrochloric Acid SCHEMBL11552188 | 0.73 | CHRNA7 (0.52) | DRD2SIGMAR1CHRNA7HTR1ADRD4 |
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 | disclosed |
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | disclosed |