Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.30 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.30 |
| ▸ | MICA | Q29983 | 1/20 | 0.30 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.30 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL15211541 | 0.89 | PNMT (0.41) | PNMTPDE2A | |
| SCHEMBL17243751 | 0.80 | RAPGEF4 (0.34) | RAPGEF4CXCR2 | |
| SCHEMBL7783845 | 0.79 | PNMT (0.42) | PNMTPDE2ARAPGEF4IDH1PGK1 | |
| SCHEMBL12789029 | 0.78 | PNMT (0.38) | PNMTPDE2ARAPGEF4IDH1PGK1 | |
| SCHEMBL12789084 | 0.76 | PNMT (0.37) | PNMTPDE2ARAPGEF4IDH1PGK1 | |
| SCHEMBL15787179 | 0.75 | PNMT (0.43) | PNMTPDE2ARAPGEF4IDH1 | |
| SCHEMBL19107407 | 0.75 | PNMT (0.36) | PNMTPDE2ARAPGEF4IDH1PGK1 | |
| SCHEMBL25247248 | 0.75 | HSD11B1 (0.46) | PNMTPDE2A | |
| SCHEMBL3239351 | 0.75 | HSD11B1 (0.46) | PNMTPDE2A | |
| SCHEMBL25215891 | 0.75 | HSD11B1 (0.46) | PNMTPDE2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |