Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.73 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.73 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.73 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.73 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL8911989 | 0.87 | TACR1 (0.61) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9317884 | 0.87 | TACR1 (0.58) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8936919 | 0.85 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8873675 | 0.85 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8917720 | 0.76 | TACR1 (0.51) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8151052 | 0.76 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8827053 | 0.76 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL4986022 | 0.75 | TACR1 (0.77) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8877299 | 0.74 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8962451 | 0.73 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C |
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-0593615-B1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |