Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.52 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.48 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.48 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8910652 | 0.79 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912387 | 0.78 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8910805 | 0.77 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8910807 | 0.77 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL26152585 | 0.75 | MTNR1A (0.61) | MTNR1AMTNR1BCASRALDH1A1 | |
| SCHEMBL5311110 | 0.71 | MTNR1A (0.62) | MTNR1AMTNR1BCASRALDH1A1 | |
| SCHEMBL11420812 | 0.70 | TACR1 (0.56) | TACR1CASR | |
| SCHEMBL19210357 | 0.70 | ALDH1A1 (0.73) | MTNR1AMTNR1BALDH1A1 | |
| Hydrochloric Acid SCHEMBL11418373 | 0.69 | TACR1 (0.55) | TACR1CASR | |
| SCHEMBL9317425 | 0.69 | TACR1 (0.57) | 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 |
|---|---|---|---|---|---|---|---|
| WO-1993001160-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |