Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | NAAA | Q02083 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7724416 | 1.00 | EGFR (0.44) | EGFRHDAC3LMNAPAX8HTT | |
| SCHEMBL7725797 | 0.81 | ACHE (0.34) | — | |
| SCHEMBL7725791 | 0.81 | ACHE (0.34) | — | |
| SCHEMBL7724626 | 0.79 | CYP1A2 (0.44) | EGFRHDAC3LMNAHTTKMT2A | |
| SCHEMBL7724629 | 0.79 | CYP1A2 (0.44) | EGFRHDAC3LMNAHTTKMT2A | |
| SCHEMBL7720001 | 0.76 | LMNA (0.48) | LMNAPAX8HTTNAAAKMT2A | |
| SCHEMBL7724600 | 0.75 | CYP2C9 (0.51) | HDAC3LMNAPAX8NAAAKMT2A | |
| SCHEMBL7724590 | 0.73 | NAAA (0.40) | LMNAPAX8HTTNAAAKMT2A | |
| SCHEMBL7720013 | 0.72 | LMNA (0.39) | LMNAPAX8HTTNAAAKMT2A | |
| SCHEMBL7725838 | 0.71 | GAA (0.44) | HDAC3LMNAPAX8HTTNAAA |
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-6403818-B1 | ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND | EISAI CO., LTD. (JP) | 2002-06-11 | — | — | US | disclosed |