Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | PTAFR | P25105 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15212769 | 0.96 | TACR1 (0.54) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL15215524 | 0.96 | TACR1 (0.54) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL15215575 | 0.96 | TACR1 (0.54) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL15215534 | 0.96 | TACR1 (0.54) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL17932895 | 0.94 | TACR1 (0.50) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL15215572 | 0.93 | TACR1 (0.50) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL16522277 | 0.93 | TACR1 (0.53) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL16515759 | 0.93 | TACR1 (0.53) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL17233167 | 0.92 | TACR1 (0.49) | TACR1SIGMAR1PTAFRCYP3A4 | |
| SCHEMBL17924367 | 0.91 | TACR1 (0.61) | TACR1SIGMAR1PTAFRCYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | claimed |
| 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 | claimed |
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| 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 |
| 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 |
| 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 |