Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 3/20 | 0.35 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL17233190 | 1.00 | SOS1 (0.35) | SOS1KRASCXCR2GPBAR1 | |
| SCHEMBL17233156 | 0.91 | GPBAR1 (0.34) | SOS1KRASGPBAR1 | |
| SCHEMBL17233158 | 0.91 | GPBAR1 (0.34) | SOS1KRASGPBAR1 | |
| SCHEMBL19594932 | 0.88 | SLC6A3 (0.33) | — | |
| SCHEMBL16341000 | 0.88 | SLC6A3 (0.33) | — | |
| SCHEMBL18854454 | 0.88 | SLC6A3 (0.33) | — | |
| SCHEMBL30509640 | 0.88 | SLC6A3 (0.33) | — | |
| SCHEMBL17041222 | 0.88 | SLC6A3 (0.33) | — | |
| SCHEMBL18862528 | 0.88 | SLC6A3 (0.33) | — | |
| SCHEMBL16340999 | 0.88 | SLC6A3 (0.33) | — |
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 2 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 |