Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL25064349 | 0.79 | HSD17B10 (0.30) | — | |
| SCHEMBL21911219 | 0.69 | PKM (0.56) | LMNA | |
| SCHEMBL10142870 | 0.69 | TSHR (0.36) | NEK2HDAC1LMNAESR1ESR2 | |
| SCHEMBL8654150 | 0.69 | NEK2 (0.35) | NEK2HDAC1LMNAESR1ESR2 | |
| SCHEMBL23581284 | 0.69 | — | — | |
| SCHEMBL1771068 | 0.69 | — | — | |
| SCHEMBL8657359 | 0.67 | CD4 (0.33) | NEK2HDAC1LMNAESR1ESR2 | |
| SCHEMBL9842874 | 0.66 | — | — | |
| SCHEMBL21834072 | 0.65 | PKM (0.53) | LMNA | |
| Bromide SCHEMBL9693044 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016046837-A1 | AN IMPROVED PROCESS FOR PREPARATION OF PYRROLO[3,4- C] PYRROLE COMPOUNDS AND INTERMEDIATES THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2016-03-31 | — | — | WO | disclosed |