Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 19/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17243760 | 1.00 | CYP3A4 (0.40) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL17233134 | 0.86 | CYP3A4 (0.48) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL15212827 | 0.85 | TACR1 (0.39) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL17243759 | 0.85 | TACR1 (0.39) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL17233081 | 0.80 | TACR1 (0.38) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL15215581 | 0.80 | TACR1 (0.38) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL15215582 | 0.80 | TACR1 (0.38) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL15215537 | 0.79 | TACR1 (0.50) | TACR1 | |
| SCHEMBL17233216 | 0.76 | TACR1 (0.57) | CYP3A4TACR1SIGMAR1PTAFR | |
| SCHEMBL15212723 | 0.75 | TACR1 (0.47) | TACR1 |
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 8 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-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | Leo Pharma A/S (DK) | 2014-12-31 | — | — | EP | claimed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | 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 |