Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 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 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929127 | 0.88 | ESR1 (0.59) | ESR1ESR2CYP19A1KCNN4HSD11B1 | |
| SCHEMBL3158793 | 0.85 | TSHR (0.50) | TSHRCYP19A1KCNN4USP2RAB9A | |
| SCHEMBL7929307 | 0.82 | CYP19A1 (0.52) | ESR1ESR2TSHRCYP19A1KCNN4 | |
| SCHEMBL7937282 | 0.81 | ESR1 (0.52) | ESR1ESR2TSHRKCNN4HSD11B1 | |
| SCHEMBL8067180 | 0.80 | ESR1 (0.78) | ESR1ESR2TSHRRAB9ACYP3A4 | |
| SCHEMBL7938045 | 0.78 | TSHR (0.43) | TSHRCYP19A1KCNN4USP2RAB9A | |
| SCHEMBL7937295 | 0.78 | ESR1 (0.41) | ESR1ESR2CYP19A1HSD11B1RORC | |
| SCHEMBL7938608 | 0.77 | ACHE (0.59) | ESR1ESR2TSHRKCNN4HSD11B1 | |
| SCHEMBL7929308 | 0.74 | ESR1 (0.42) | ESR1ESR2TSHRCYP19A1KCNN4 | |
| SCHEMBL7935833 | 0.74 | KIF11 (0.56) | ESR1ESR2KCNN4HSD11B1CYP2C9 |
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 |