Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.43 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.43 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5793686 | 0.91 | TACR1 (0.45) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5790457 | 0.87 | TACR1 (0.43) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5793430 | 0.87 | TACR1 (0.46) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5790217 | 0.87 | TACR1 (0.57) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5791612 | 0.86 | TACR1 (0.42) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5790053 | 0.86 | TACR1 (0.42) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5793713 | 0.86 | TACR1 (0.47) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5793303 | 0.85 | TACR1 (0.41) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5793305 | 0.85 | TACR1 (0.44) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL5789858 | 0.85 | TACR1 (0.46) | 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 |