Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8965894 | 0.90 | TACR1 (0.45) | TACR1 | |
| SCHEMBL8910719 | 0.86 | TACR1 (0.47) | TACR1 | |
| SCHEMBL8911375 | 0.85 | TACR1 (0.46) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911344 | 0.85 | TACR1 (0.46) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911790 | 0.81 | ALDH1A1 (0.44) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911653 | 0.79 | TACR1 (0.52) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911854 | 0.79 | TACR1 (0.45) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8910978 | 0.71 | TACR1 (0.57) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL10927083 | 0.69 | LMNA (0.46) | — | |
| SCHEMBL8879693 | 0.68 | TACR1 (0.51) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |