Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.48 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.48 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.48 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8911831 | 0.82 | TACR1 (0.55) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912181 | 0.80 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9540551 | 0.80 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911193 | 0.79 | TACR1 (0.45) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8965307 | 0.77 | TACR1 (0.70) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| Oxalic Acid SCHEMBL8911529 | 0.76 | TACR1 (0.68) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912400 | 0.74 | TACR1 (0.46) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8878273 | 0.73 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8878874 | 0.73 | TACR1 (0.48) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8962639 | 0.72 | TACR1 (0.53) | 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 2 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-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | disclosed |