Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8910807 | 0.86 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8910805 | 0.86 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9540662 | 0.78 | TACR1 (0.52) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8910652 | 0.77 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8963934 | 0.77 | TACR1 (0.59) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7041441 | 0.75 | MTNR1A (0.61) | MTNR1AMTNR1BPPARGPPARA | |
| SCHEMBL27555215 | 0.74 | MTNR1A (0.63) | MTNR1AMTNR1BPPARGPPARA | |
| SCHEMBL29609868 | 0.73 | EPHX1 (0.65) | MTNR1AMTNR1B | |
| SCHEMBL28617579 | 0.73 | EPHX1 (0.65) | MTNR1AMTNR1B | |
| SCHEMBL7042372 | 0.73 | MTNR1A (0.62) | MTNR1AMTNR1B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5629347-A | TACHYKININ ANTAGONIST USED IN TREATMENT OF INFLAMMATION, MIGRAINE, POSTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 1997-05-13 | — | — | US | disclosed |
| EP-0593557-B1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |
| WO-1993001160-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |
| EP-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | disclosed |