Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 11/20 | 0.76 |
| ▸ | DRD2 | P14416 | 9/20 | 0.76 |
| ▸ | HTR2A | P28223 | 7/20 | 0.76 |
| ▸ | DRD4 | P21917 | 7/20 | 0.76 |
| ▸ | HTR1A | P08908 | 6/20 | 0.76 |
| ▸ | HTR1B | P28222 | 4/20 | 0.76 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549747 | 0.89 | HTR1D (0.78) | HTR1DDRD2HTR2ADRD4HTR1A | |
| Methane SCHEMBL8596364 | 0.89 | HTR1D (0.77) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL8550001 | 0.88 | HTR1D (0.80) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL30628146 | 0.86 | HTR1D (1.00) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL5595821 | 0.86 | HTR1D (1.00) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL7401976 | 0.86 | HTR1D (1.00) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL8549606 | 0.86 | HTR1D (1.00) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL8550056 | 0.86 | HTR1D (0.78) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL8550714 | 0.85 | HTR1D (1.00) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL7403625 | 0.85 | HTR1D (1.00) | HTR1DDRD2HTR2ADRD4HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997002259-A1 | 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES | PHARMACIA & UPJOHN COMPANY (US) | 1997-01-23 | — | — | WO | claimed |
| 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 |