Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.49 |
| ▸ | RHOC | P08134 | 6/20 | 0.41 |
| ▸ | RHOA | P61586 | 6/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | CLPP | Q16740 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8877299 | 0.88 | TACR1 (0.49) | TACR1RHOCRHOACACNA1FCACNA1D | |
| SCHEMBL8878375 | 0.82 | TACR1 (0.47) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911831 | 0.77 | TACR1 (0.55) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9317465 | 0.73 | TACR1 (0.52) | TACR1RHOCRHOACACNA1FCACNA1D | |
| SCHEMBL8879693 | 0.69 | TACR1 (0.51) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5792062 | 0.69 | TACR1 (0.48) | TACR1RHOCRHOACACNA1FCACNA1D | |
| SCHEMBL8911533 | 0.69 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8878273 | 0.68 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8878874 | 0.68 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8962639 | 0.64 | TACR1 (0.53) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5610183-A | Phenylglycine derivatives pharmaceutical compositions containing them and their use in therapy | MERCK, SHARP & DOHME LTD. (GB) | 1997-03-11 | — | — | US | disclosed |
| EP-0593615-B1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |