Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.45 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912564 | 0.81 | TACR1 (0.77) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL1883313 | 0.80 | CTSK (0.50) | SYKCTSSCTSKKLK5PPARA | |
| SCHEMBL8879231 | 0.78 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL22425314 | 0.78 | CTSK (0.45) | SYKCTSSCTSK | |
| SCHEMBL29096658 | 0.78 | MAPT (0.52) | SYKCTSSCTSKKLK5PPARA | |
| SCHEMBL29096659 | 0.78 | MAPT (0.52) | SYKCTSSCTSKKLK5PPARA | |
| SCHEMBL503473 | 0.77 | CTSK (0.52) | CTSSCTSKPPARAATM | |
| SCHEMBL2187825 | 0.77 | CTSK (0.52) | CTSSCTSKPPARAATM | |
| SCHEMBL2187819 | 0.77 | CTSK (0.52) | CTSSCTSKPPARAATM | |
| SCHEMBL12873000 | 0.77 | KLK5 (0.57) | SYKCTSSCTSKKLK5PPARA |
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 5 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 |
| EP-0593557-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | 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 |