Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.45 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8911294 | 0.80 | TACR1 (0.51) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911781 | 0.80 | TACR1 (0.54) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8910978 | 0.80 | TACR1 (0.57) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912124 | 0.78 | TACR1 (0.53) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8879035 | 0.77 | TACR1 (0.47) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912169 | 0.77 | TACR1 (0.47) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912664 | 0.75 | TACR1 (0.44) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9267801 | 0.73 | TACR1 (0.53) | TACR1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8912700 | 0.72 | SLC1A1 (0.51) | TACR1SLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL8912527 | 0.72 | TACR1 (0.52) | 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 |
| WO-1993001165-A2 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |