Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.34 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318555 | 0.90 | TACR1 (0.48) | TACR1SIGMAR1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9318452 | 0.86 | TACR1 (0.49) | TACR1SIGMAR1 | |
| SCHEMBL8459970 | 0.84 | TACR1 (0.46) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9318578 | 0.83 | TACR1 (0.41) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9317653 | 0.81 | TACR1 (0.53) | TACR1SIGMAR1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9317616 | 0.79 | TACR1 (0.39) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8460283 | 0.78 | TACR1 (0.50) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9318205 | 0.76 | TACR1 (0.46) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8459800 | 0.76 | TACR1 (0.46) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9319438 | 0.73 | EDNRB (0.42) | TACR1SIGMAR1 |
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-0593557-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | EP | claimed |