Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.67 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.67 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.67 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.67 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL9393704 | 1.00 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8826867 | 1.00 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911168 | 0.85 | TACR1 (0.68) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8965847 | 0.84 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911382 | 0.83 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911425 | 0.83 | TACR1 (0.68) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8827091 | 0.83 | TACR1 (0.80) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911792 | 0.83 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8827093 | 0.83 | TACR1 (0.80) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8912893 | 0.82 | TACR1 (0.84) | 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-5633281-A | 3,3-diphenyl prop-2-yl amino acid derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1997-05-27 | — | — | US | disclosed |
| WO-1994015903-A1 | 3,3 DIPHENYL PROP-2-YL AMINO ACID DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-07-21 | — | — | WO | disclosed |