Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL24272319 | 0.85 | IDO1 (0.36) | IDO1TDO2PNMT | |
| SCHEMBL16957613 | 0.83 | IDO1 (0.37) | IDO1TDO2PNMT | |
| SCHEMBL347778 | 0.81 | CES2 (0.41) | IDO1TDO2CES2 | |
| SCHEMBL15212731 | 0.81 | IDO1 (0.38) | IDO1TDO2CES2 | |
| SCHEMBL5778880 | 0.79 | CES2 (0.48) | IDO1TDO2CES2PNMT | |
| SCHEMBL3582053 | 0.74 | RXRA (0.33) | IDO1TDO2CES2 | |
| SCHEMBL27670568 | 0.74 | RPS6KA3 (0.32) | IDO1TDO2CES2 | |
| SCHEMBL27670567 | 0.74 | CES2 (0.35) | IDO1TDO2CES2PNMT | |
| SCHEMBL16961916 | 0.73 | MEN1 (0.34) | IDO1TDO2 | |
| SCHEMBL20384786 | 0.72 | GABRA1 (0.38) | IDO1TDO2CES2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104245702-B | New type nerve kassinin kinin 1 receptor agonist compounds | 利奥制药有限公司 | 2016-09-14 | — | — | CN | disclosed |
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| 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 |
| EP-2817312-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | Leo Pharma A/S (DK) | 2014-12-31 | — | — | EP | disclosed |
| CN-104245702-A | Novel neurokinin 1 receptor antagonist compounds | LEO PHARMA AS | 2014-12-24 | — | — | CN | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |