Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318573 | 0.85 | TACR1 (0.49) | TACR1IDO1EDNRBEDNRA | |
| SCHEMBL8460283 | 0.84 | TACR1 (0.50) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9317784 | 0.81 | TACR1 (0.58) | TACR1IDO1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9319570 | 0.81 | TACR1 (0.45) | TACR1EDNRBEDNRA | |
| SCHEMBL9392799 | 0.81 | TACR1 (0.58) | TACR1IDO1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9318574 | 0.79 | TACR1 (0.47) | TACR1EDNRBEDNRA | |
| SCHEMBL9318203 | 0.77 | PNMT (0.50) | TACR1IDO1 | |
| SCHEMBL9318544 | 0.74 | GLA (0.43) | TACR1 | |
| SCHEMBL9318581 | 0.73 | TACR1 (0.50) | TACR1EDNRBEDNRACACNA1FCACNA1D | |
| SCHEMBL9318137 | 0.72 | RAB9A (0.46) | TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593557-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | EP | claimed |
| EP-0593557-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | EP | disclosed |