Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | MYC | P01106 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17233211 | 1.00 | FBP1 (0.31) | FBP1RPS6KA3JAK3MYC | |
| SCHEMBL17233146 | 1.00 | FBP1 (0.31) | FBP1RPS6KA3JAK3MYC | |
| SCHEMBL17243756 | 1.00 | FBP1 (0.31) | FBP1RPS6KA3JAK3MYC | |
| SCHEMBL17233148 | 1.00 | FBP1 (0.31) | FBP1RPS6KA3JAK3MYC | |
| SCHEMBL24037015 | 0.91 | NFE2L2 (0.33) | — | |
| SCHEMBL25753375 | 0.91 | — | — | |
| SCHEMBL17243753 | 0.91 | NFE2L2 (0.33) | — | |
| SCHEMBL25753368 | 0.91 | NFE2L2 (0.33) | — | |
| SCHEMBL24037017 | 0.91 | — | — | |
| SCHEMBL15215467 | 0.89 | NOTUM (0.34) | — |
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 4 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 |
| 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 |