Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.70 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.58 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.58 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.58 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.58 |
| ▸ | TACR3 | P29371 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9317465 | 0.85 | TACR1 (0.52) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5790316 | 0.80 | TACR1 (0.68) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5789870 | 0.78 | TACR1 (0.58) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5790455 | 0.78 | TACR1 (0.58) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL19129490 | 0.78 | IDO1 (0.57) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL14159070 | 0.78 | IDO1 (0.53) | TACR1 | |
| SCHEMBL14289858 | 0.77 | SLC6A2 (0.47) | TACR1 | |
| SCHEMBL2701985 | 0.77 | SLC6A2 (0.47) | TACR1 | |
| SCHEMBL14163823 | 0.77 | IDO1 (0.51) | TACR1 | |
| SCHEMBL18003640 | 0.76 | TACR1 (0.50) | 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-A1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | EP | disclosed |