Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.63 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.59 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.59 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.59 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7000528 | 1.00 | TACR1 (0.63) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8874899 | 0.88 | TACR1 (0.75) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL1520889 | 0.79 | CA1 (0.59) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL8962451 | 0.77 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8873675 | 0.75 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8936919 | 0.75 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL22785928 | 0.75 | CA1 (0.47) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL5142062 | 0.73 | TACR1 (0.72) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7476736 | 0.73 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7487168 | 0.73 | TACR1 (0.49) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165540-B1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2003-08-13 | — | — | EP | disclosed |
| US-6458830-B1 | THE COMPOUNDS ARE OF PARTICULAR USE IN THE TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA. | MERCK SHARP & DOHME LTD. | 2002-10-01 | — | — | US | disclosed |
| EP-1165540-A1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000056727-A1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-09-28 | — | — | WO | disclosed |