Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 5/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17243750 | 0.89 | PNMT (0.36) | PNMTPDE2A | |
| SCHEMBL3239351 | 0.81 | HSD11B1 (0.46) | PNMTCES2PDE2AHRH3 | |
| SCHEMBL31378991 | 0.81 | PNMT (0.41) | PNMTCES2TACR1 | |
| SCHEMBL25247248 | 0.81 | HSD11B1 (0.46) | PNMTCES2PDE2AHRH3 | |
| SCHEMBL5031829 | 0.81 | PNMT (0.41) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL25215891 | 0.81 | HSD11B1 (0.46) | PNMTCES2PDE2AHRH3 | |
| SCHEMBL25920947 | 0.78 | PNMT (0.47) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL264592 | 0.76 | PNMT (0.46) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL6484095 | 0.76 | PNMT (0.46) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL459815 | 0.76 | PNMT (0.46) | PNMTCES2TACR1IDO1PDE2A |
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 5 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 | 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 |
| EP-2817312-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | Leo Pharma A/S (DK) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |