Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 8/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25366356 | 0.86 | HTR6 (0.44) | HTR6DRD2DRD3DRD1HTR2A | |
| SCHEMBL25232509 | 0.79 | ALDH1A1 (0.45) | HTR6ADRB1ALDH1A1LMNA | |
| SCHEMBL20076208 | 0.78 | HTR6 (0.46) | HTR6HTR7ALDH1A1LMNAKDR | |
| SCHEMBL8191985 | 0.75 | HTR1A (0.46) | HTR6DRD2DRD3HTR2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL15937978 | 0.74 | LMNA (0.48) | HTR6SIGMAR1HTR7ADRB1ALDH1A1 | |
| SCHEMBL4420344 | 0.73 | HTR6 (0.46) | HTR6HTR7ADRB1 | |
| SCHEMBL26968308 | 0.73 | TTR (0.57) | HTR6DRD2DRD3HTR2ASIGMAR1 | |
| SCHEMBL29835980 | 0.73 | TTR (0.57) | HTR6DRD2DRD3HTR2ASIGMAR1 | |
| SCHEMBL31342302 | 0.73 | HTR6 (0.57) | HTR6HTR2AHTR7ADRB1ALDH1A1 | |
| SCHEMBL24632769 | 0.73 | ADRB1 (0.55) | HTR7ADRB1 |
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 |