Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.58 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.43 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.43 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.43 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL778229 | 0.84 | HTR6 (0.70) | HSD11B1HTR6HTR2APKMHTR2C | |
| SCHEMBL7937274 | 0.84 | HTR6 (0.70) | HSD11B1HTR6HTR2APKMHTR2C | |
| SCHEMBL11980110 | 0.84 | HTR6 (0.70) | HSD11B1HTR6HTR2APKMHTR2C | |
| SCHEMBL21888594 | 0.84 | NR3C2 (0.59) | HSD11B1NR3C2HTR6POLBMMP1 | |
| SCHEMBL7937263 | 0.82 | ESR2 (0.66) | HSD11B1NR3C2HTR6PKMPOLB | |
| SCHEMBL4790085 | 0.81 | HSD11B1 (0.66) | HSD11B1NPC1ABCC9ABCC8KCNJ11 | |
| SCHEMBL3020464 | 0.81 | HTT (0.62) | HSD11B1NR3C2HTR6PKMMMP1 | |
| SCHEMBL17931719 | 0.80 | ESR1 (0.60) | NR3C2HTR6POLBMEN1CYP3A4 | |
| Bisphenol A SCHEMBL10477991 | 0.80 | ESR2 (0.68) | HSD11B1NR3C2HTR6PKMPOLB | |
| SCHEMBL7938041 | 0.79 | PTGS2 (0.55) | HSD11B1 |
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 |