Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.65 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.65 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.65 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.65 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.65 |
| ▸ | PPARA | Q07869 | 2/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8826853 | 1.00 | TACR1 (0.65) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911382 | 0.91 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8458769 | 0.87 | TACR1 (0.64) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8936824 | 0.87 | TACR1 (0.64) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911379 | 0.87 | TACR1 (0.65) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912564 | 0.86 | TACR1 (0.77) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911792 | 0.85 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8910716 | 0.83 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911739 | 0.83 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8965307 | 0.83 | TACR1 (0.70) | 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 8 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 |
| US-5554633-A | ANTIINFLAMMATORY, ANTIARTHRITIC, AND ANALGESIC AGENTS; MIGRAINE | MERCK, SHARP & DOHME, LTD. (GB) | 1996-09-10 | — | — | US | disclosed |
| US-5494926-A | ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE | MERCK SHARP & DOHME LTD. (GB) | 1996-02-27 | — | — | 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-1994003429-A1 | SUBSTITUTED AMINES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-02-17 | — | — | WO | disclosed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | 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 |