Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | PTGIR | P43119 | 1/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2417142 | 0.90 | HAO1 (0.53) | HAO1KIF11PTGIRMLYCDSLC6A2 | |
| Fluoride SCHEMBL29094698 | 0.87 | HAO1 (0.52) | HAO1KIF11PTGIRMLYCDSLC6A2 | |
| SCHEMBL168026 | 0.84 | ALDH1A1 (0.53) | KIF11PAX8CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL576260 | 0.82 | MEN1 (0.48) | HTR1AALDH1A1TSHRMEN1MAPT | |
| SCHEMBL4455809 | 0.81 | ALDH1A1 (0.59) | HAO1KIF11PTGIRMLYCDSLC6A2 | |
| Chloromethane SCHEMBL27654425 | 0.79 | PAX8 (0.48) | KIF11PAX8CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL24499138 | 0.79 | TRPV1 (0.46) | HAO1KIF11PTGIRMLYCDSLC6A2 | |
| SCHEMBL7943862 | 0.79 | HAO1 (0.50) | HAO1KIF11PTGIRMLYCDSLC6A2 | |
| SCHEMBL6251649 | 0.79 | KIF11 (0.64) | HAO1KIF11PTGIRMLYCDSLC6A2 | |
| SCHEMBL4704621 | 0.79 | KIF11 (0.64) | HAO1KIF11PTGIRMLYCDSLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |