Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.59 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.56 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.56 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.56 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5138664 | 0.81 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8965330 | 0.80 | TACR1 (0.69) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8911255 | 0.80 | TACR1 (0.69) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8965767 | 0.79 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8885251 | 0.79 | TACR1 (0.66) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8965847 | 0.76 | TACR1 (0.60) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8936926 | 0.75 | TACR1 (0.55) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8827053 | 0.74 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8962451 | 0.74 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8151052 | 0.74 | TACR1 (1.00) | 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-5563161-A | ANTIIFLAMMATORY, ANTIMIGRANE AND ANTIARTHRITIC AGENT | MERCK SHARP & DOHME LTD. (GB) | 1996-10-08 | — | — | US | disclosed |
| WO-1994005625-A1 | ALCOHOLS AND ETHERS WITH AROMATIC SUBSTITUENTS AS TACHYKININ-ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-17 | — | — | WO | disclosed |