Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.58 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.49 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.49 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5790316 | 0.82 | TACR1 (0.68) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5789870 | 0.80 | TACR1 (0.58) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5793442 | 0.79 | TACR1 (0.50) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9317434 | 0.78 | TACR1 (0.70) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5793429 | 0.78 | TACR1 (0.49) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8936932 | 0.73 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5794397 | 0.73 | TACR1 (0.52) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| Hydrochloric Acid SCHEMBL8936902 | 0.72 | TACR1 (0.65) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9389196 | 0.71 | TACR1 (0.56) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5790707 | 0.71 | TACR1 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2006014942-A1 | ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | claimed |
| WO-2006014942-A1 | ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | disclosed |