Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.72 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.48 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8107943 | 0.85 | TACR1 (0.55) | TACR1SLC6A4 | |
| SCHEMBL5216125 | 0.84 | TACR1 (1.00) | TACR1SLC6A4 | |
| SCHEMBL8544652 | 0.82 | TACR1 (0.69) | TACR1SLC6A4 | |
| SCHEMBL8824347 | 0.82 | TACR1 (0.72) | TACR1SLC6A4 | |
| SCHEMBL8546545 | 0.81 | TACR1 (0.66) | TACR1SLC6A4 | |
| SCHEMBL8540809 | 0.81 | TACR1 (0.68) | TACR1SLC6A4 | |
| SCHEMBL8824359 | 0.80 | TACR1 (0.73) | TACR1SLC6A4 | |
| SCHEMBL8824352 | 0.80 | TACR1 (0.73) | TACR1SLC6A4 | |
| SCHEMBL8561630 | 0.80 | TACR1 (0.67) | TACR1SLC6A4 | |
| SCHEMBL6482875 | 0.80 | TACR1 (0.59) | TACR1SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0739336-B1 | GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 1998-08-26 | — | — | EP | disclosed |