Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 6/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
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 | 0.92 | ESR1 (0.59) | ESR1ESR2PAX8CYP1A1CYP1B1 | |
| SCHEMBL168026 | 0.87 | ALDH1A1 (0.53) | PAX8CYP1A1CYP1B1ALDH1A1TSHR | |
| Chloromethane SCHEMBL27654425 | 0.81 | PAX8 (0.48) | PAX8CYP1A1CYP1B1ALDH1A1TSHR | |
| SCHEMBL7940635 | 0.81 | ESR1 (0.48) | ESR1ESR2PAX8TSHRUSP2 | |
| SCHEMBL7929307 | 0.81 | CYP19A1 (0.52) | ESR1ESR2ALDH1A1TSHRRAB9A | |
| SCHEMBL7938608 | 0.81 | ACHE (0.59) | ESR1ESR2ALDH1A1TSHRUSP2 | |
| SCHEMBL7940597 | 0.79 | KIF11 (0.64) | PAX8ALDH1A1TSHRKIF11MAOB | |
| Bromomethane SCHEMBL27825372 | 0.79 | PAX8 (0.47) | PAX8CYP1A1CYP1B1ALDH1A1TSHR | |
| SCHEMBL7935379 | 0.78 | ESR1 (0.86) | ESR1ESR2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL7935833 | 0.78 | KIF11 (0.56) | ESR1ESR2ALDH1A1KIF11KCNN4 |
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 |