Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 6/20 | 0.38 |
| ▸ | DRD2 | P14416 | 6/20 | 0.38 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8553551 | 0.89 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8551575 | 0.89 | DRD4 (0.48) | DRD4ALDH1A1HTR1DDRD2HTR2A | |
| SCHEMBL8550687 | 0.89 | DRD4 (0.48) | DRD4ALDH1A1HTR1DDRD2HTR2A | |
| SCHEMBL8549471 | 0.89 | DRD4 (0.48) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8550252 | 0.88 | DRD4 (0.59) | DRD4DRD2HTR2AHTR1AHRH3 | |
| SCHEMBL8550036 | 0.87 | DRD4 (0.47) | DRD4ALDH1A1HTR1DDRD2HTR2A | |
| SCHEMBL8549100 | 0.87 | DRD4 (0.47) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8549609 | 0.86 | DRD4 (0.58) | DRD4HTR1DDRD2HTR2AHTR1A | |
| SCHEMBL8551436 | 0.86 | DRD4 (0.48) | DRD4ALDH1A1HTR1DDRD2HTR2A | |
| SCHEMBL8550849 | 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 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 |