Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8879561 | 0.82 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8877299 | 0.81 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911831 | 0.77 | TACR1 (0.55) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8878874 | 0.70 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911533 | 0.70 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8878273 | 0.69 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9292725 | 0.68 | MRGPRX4 (0.45) | MRGPRX4 | |
| SCHEMBL9317133 | 0.66 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9540551 | 0.66 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912181 | 0.66 | TACR1 (0.48) | 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 |