Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.38 |
| ▸ | PTAFR | P25105 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15215583 | 1.00 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL17233101 | 1.00 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL17243762 | 1.00 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215585 | 0.96 | TACR1 (0.35) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215544 | 0.96 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215597 | 0.96 | TACR1 (0.35) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215581 | 0.95 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL17233081 | 0.95 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215582 | 0.95 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 | |
| SCHEMBL15215532 | 0.95 | TACR1 (0.38) | TACR1PTAFRSIGMAR1 |
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-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |