Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.65 |
| ▸ | PKM | P14618 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 9/20 | 0.57 |
| ▸ | RAB9A | P51151 | 9/20 | 0.57 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8360193 | 0.96 | PKM (0.71) | TP53PKMKDM4EUSP2NPC1 | |
| SCHEMBL14804393 | 0.87 | NPC1 (0.56) | TP53PKMKDM4ENPC1RAB9A | |
| SCHEMBL9612006 | 0.85 | PKM (0.90) | TP53PKMKDM4EUSP2NPC1 | |
| SCHEMBL11965041 | 0.85 | PKM (0.90) | TP53PKMKDM4EUSP2NPC1 | |
| SCHEMBL13605219 | 0.84 | TP53 (0.50) | TP53PKMKDM4EUSP2NPC1 | |
| SCHEMBL12918729 | 0.83 | NPC1 (0.64) | TP53KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL5112255 | 0.82 | NPC1 (0.68) | TP53KDM4ENPC1RAB9AATAD2 | |
| SCHEMBL4883972 | 0.82 | TP53 (0.75) | TP53PKMKDM4EUSP2NPC1 | |
| SCHEMBL739207 | 0.81 | NPC1 (0.67) | TP53KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL4883712 | 0.80 | PKM (1.00) | TP53PKMKDM4EUSP2NPC1 |
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-7638632-B2 | 4-Ethynyl (1,2-dicyanobenzene)-4'-Ethynylphenyl-1(4,5-dicyanobenzene); 1,4-Bis(4-pyridyl)butadiyne; 4-ethynyl(pyridine)-4'-ethynylnaphthalene-1-pyridine; self-assembled mono-, multilayers/ supramolecular objects; three-terminal devices; logic switches;nanoelectronic ; computers; wires; dielectrics | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-12-29 | — | — | US | disclosed |