Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.46 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1872895 | 0.91 | TACR1 (0.56) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL1876496 | 0.85 | TACR1 (0.42) | TACR1CCR2CACNA1FCACNA1DCACNA1S | |
| Hydrochloric Acid SCHEMBL1881250 | 0.82 | TACR1 (0.48) | TACR1CCR2CACNA1FCACNA1DCACNA1S | |
| SCHEMBL1874323 | 0.82 | TACR1 (0.47) | TACR1 | |
| SCHEMBL1879543 | 0.82 | TACR1 (0.47) | TACR1CCR2CACNA1FCACNA1DCACNA1S | |
| SCHEMBL1873946 | 0.82 | TACR1 (0.43) | TACR1CCR2CACNA1FCACNA1DCACNA1S | |
| SCHEMBL1877909 | 0.80 | TACR1 (0.44) | TACR1CCR2CACNA1FCACNA1DCACNA1S | |
| SCHEMBL1879021 | 0.80 | TACR1 (0.46) | TACR1CCR2CACNA1FCACNA1DCACNA1S | |
| Hydrochloric Acid SCHEMBL1876286 | 0.79 | TACR1 (0.52) | TACR1 | |
| SCHEMBL5102970 | 0.79 | TACR1 (0.61) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7939552-B2 | Tachykinin receptor anatgonist; good transfer into blood; long half-life; stability; bradycardial agents; antiinflammatory agents ; antallergens; analgesics; antiemetics; irritable bowel disorders; skin disorders; antidepressants; antiischemic agents ; anxiolytic agents; autoimmune diseases; muscle relax | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 2011-05-10 | — | — | US | disclosed |