Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31470056 | 0.87 | CA1 (0.40) | ACHEKCNN4ALDH1A1TSHRTDP1 | |
| SCHEMBL31469949 | 0.87 | KCNN4 (0.38) | ACHEKCNN4ALDH1A1TSHRTDP1 | |
| SCHEMBL24029860 | 0.85 | KCNN4 (0.48) | ACHEKCNN4ALDH1A1TSHRKCNE1 | |
| SCHEMBL179259 | 0.83 | ALDH1A1 (0.50) | ACHEKCNN4ALDH1A1TSHRTDP1 | |
| SCHEMBL7940715 | 0.82 | KCNN4 (0.51) | ACHEKCNN4ALDH1A1TSHRKCNE1 | |
| SCHEMBL27660687 | 0.81 | ALDH1A1 (0.48) | ACHEKCNN4ALDH1A1TSHRTDP1 | |
| SCHEMBL27726574 | 0.81 | ACHE (0.42) | ACHEKCNN4ALDH1A1TSHRTDP1 | |
| SCHEMBL11415516 | 0.81 | ACHE (0.42) | ACHEKCNN4ALDH1A1TSHRTDP1 | |
| SCHEMBL20076543 | 0.81 | ACHE (0.42) | ACHEKCNN4ALDH1A1TSHRTDP1 | |
| SCHEMBL803367 | 0.79 | ACHE (0.40) | ACHEKCNN4ALDH1A1TSHRTDP1 |
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 |