Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25134589 | 0.82 | KCNN4 (0.48) | KCNN4ACHEPTPN1KIF11CYP19A1 | |
| SCHEMBL25134588 | 0.82 | KCNN4 (0.48) | KCNN4ACHEPTPN1KIF11CYP19A1 | |
| SCHEMBL26018790 | 0.80 | ACHE (0.48) | ACHEKIF11HDAC3HDAC2HDAC6 | |
| SCHEMBL24961811 | 0.80 | TSHR (0.50) | NFE2L2MGLLTSHRMAPK1CES2 | |
| SCHEMBL7929172 | 0.79 | KCNN4 (0.50) | KCNN4ACHEPTPN1KIF11CYP19A1 | |
| SCHEMBL179310 | 0.79 | KCNN4 (0.50) | KCNN4ACHEPTPN1KIF11CYP19A1 | |
| SCHEMBL25710696 | 0.78 | ACHE (0.46) | ACHEKIF11NFE2L2MAPK1 | |
| SCHEMBL7940700 | 0.77 | KCNN4 (0.48) | KCNN4ACHEPTPN1KIF11CYP19A1 | |
| SCHEMBL13804872 | 0.77 | KCNN4 (0.48) | KCNN4ACHEPTPN1KIF11CYP19A1 | |
| Chloromethane SCHEMBL27654435 | 0.77 | TSHR (0.52) | KCNN4ACHENFE2L2MGLLMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023109461-A1 | BENZOTHIOPHENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 中国科学院上海药物研究所 | 2023-06-22 | — | — | WO | disclosed |