Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL8548777 | 0.89 | HTR1D (0.54) | HTR1APOLBDRD4HSD17B10DRD2 | |
| SCHEMBL8553219 | 0.89 | HTR1A (0.52) | HTR1APOLBDRD4HSD17B10DRD2 | |
| SCHEMBL8550457 | 0.88 | HTR1A (0.51) | HTR1APOLBDRD4HSD17B10DRD2 | |
| SCHEMBL8551190 | 0.88 | HTR1A (0.64) | HTR1APOLBDRD4HSD17B10DRD2 | |
| SCHEMBL8552310 | 0.87 | HTR1A (0.48) | HTR1APOLBDRD4HSD17B10DRD2 | |
| SCHEMBL8549853 | 0.87 | DRD4 (0.65) | HTR1APOLBDRD4HSD17B10DRD2 | |
| SCHEMBL8549472 | 0.86 | HTR1A (0.49) | HTR1APOLBDRD4HSD17B10DRD2 | |
| SCHEMBL8554330 | 0.85 | CD274 (0.59) | HTR1ADRD4DRD2DRD3 | |
| SCHEMBL8551575 | 0.85 | DRD4 (0.48) | HTR1ADRD4HSD17B10DRD2CYP1A2 | |
| SCHEMBL8551580 | 0.84 | ALDH1A1 (0.38) | MAPT |
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 1 patent. 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 |