Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29570973 | 0.97 | — | — | |
| SCHEMBL157146 | 0.97 | — | — | |
| Fluoride SCHEMBL28080565 | 0.95 | KDM1A (0.39) | KDM1AKCNH2KDM1BNFE2L2ACHE | |
| SCHEMBL2741575 | 0.79 | KIF11 (0.46) | KDM1AKCNH2KDM1BNFE2L2ACHE | |
| SCHEMBL7559862 | 0.79 | HTT (0.49) | ALDH1A1MAPK1SMN1; SMN2TDP1 | |
| SCHEMBL21863802 | 0.78 | EGFR (0.43) | KCNH2 | |
| SCHEMBL80216 | 0.77 | — | — | |
| SCHEMBL30316227 | 0.77 | — | — | |
| SCHEMBL2913077 | 0.76 | ALDH1A1 (0.48) | KDM1AKCNH2KDM1BNFE2L2ALDH1A1 | |
| Iodide SCHEMBL28053437 | 0.75 | NFE2L2 (0.39) | KDM1AKDM1BNFE2L2ACHEALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6683218-B1 | REACTING AN ARYL FLUORIDE WITH HALOGENATED HYDROCARBON AND MAGNESIUM; METALLIZATION, BORATING; DISTILLING OUT DIETHYL ETHER OR TETRAHYDROFURAN SOLVENT | NIPPON SHOKUBAI CO., LTD. (JP) | 2004-01-27 | — | — | US | disclosed |
| EP-0825195-B1 | PRODUCING PROCESS OF FLUOROARYL MAGNESIUM DERIVATIVE AND PRODUCING PROCESS OF (FLUOROARYL)BORANE COMPOUND | NIPPON CATALYTIC CHEM IND (JP) | 2003-11-12 | — | — | EP | disclosed |
| US-6057480-A | Process for preparing fluoroaryl magnesium derivative and process for preparing (fluoroaryl) borane compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0838466-A2 | Producing process of (fluoroaryl) borane compound and producing process of tetrakis (fluoroaryl) borate derivative | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-04-29 | — | — | EP | disclosed |
| EP-0825195-A1 | PROCESS FOR THE PREPARATION OF FLUORINATED ARYLMAGNESIUM DERIVATIVES AND PROCESS FOR THE PREPARATION OF (FLUORINATED ARYL)BORON COMPOUNDS | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |