Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 7/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929077 | 0.85 | ESR1 (0.43) | ESR1ESR2RORCGAAGPR3 | |
| SCHEMBL7937961 | 0.84 | GAA (0.39) | GAAGPR3DRD2DRD4DRD3 | |
| SCHEMBL7929177 | 0.84 | ESR1 (0.64) | ESR1ESR2CYP3A4 | |
| SCHEMBL7929127 | 0.79 | ESR1 (0.59) | ESR1ESR2RORCGAANR1I2 | |
| SCHEMBL7929138 | 0.79 | HPGD (0.35) | ESR1ESR2RORCGAACYP3A4 | |
| SCHEMBL7937974 | 0.78 | NPC1 (0.36) | GAA | |
| SCHEMBL7937281 | 0.78 | SOS1 (0.44) | GAA | |
| SCHEMBL7940635 | 0.78 | ESR1 (0.48) | ESR1ESR2RORCNR1I2CYP3A4 | |
| SCHEMBL7938513 | 0.77 | NFE2L2 (0.52) | ESR1ESR2RORCHSD11B1 | |
| SCHEMBL7929307 | 0.74 | CYP19A1 (0.52) | ESR1ESR2CYP19A1HSD11B1DRD2 |
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 |