Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 6/20 | 0.51 |
| ▸ | DRD2 | P14416 | 4/20 | 0.51 |
| ▸ | DRD4 | P21917 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8553947 | 0.83 | AKR1C3 (0.41) | ALDH1A1DRD3DRD2DRD4LMNA | |
| SCHEMBL8551190 | 0.82 | HTR1A (0.64) | ALDH1A1HTR1ACD274DRD3DRD2 | |
| SCHEMBL8553219 | 0.82 | HTR1A (0.52) | HTR1ADRD3DRD2DRD4POLB | |
| SCHEMBL8550516 | 0.81 | DRD4 (0.47) | HTR1ADRD3DRD2DRD4LMNA | |
| SCHEMBL8549399 | 0.81 | CCR3 (0.56) | HTR1ACD274DRD3DRD2DRD4 | |
| SCHEMBL8548777 | 0.80 | HTR1D (0.54) | HTR1ADRD2DRD4POLB | |
| SCHEMBL8550457 | 0.79 | HTR1A (0.51) | HTR1ADRD3DRD2DRD4POLB | |
| SCHEMBL8549853 | 0.79 | DRD4 (0.65) | ALDH1A1HTR1ADRD3DRD2DRD4 | |
| SCHEMBL8554330 | 0.79 | CD274 (0.59) | HTR1ACD274DRD3DRD2DRD4 | |
| SCHEMBL8549479 | 0.79 | HTR1A (0.50) | HTR1ADRD3DRD2DRD4POLB |
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 |