Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10356878 | 0.83 | CA2 (0.50) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10356299 | 0.83 | CA2 (0.50) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10317889 | 0.79 | CA2 (0.47) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL8383158 | 0.79 | CA2 (0.47) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10320040 | 0.79 | CA2 (0.47) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL14369584 | 0.79 | ESR1 (0.42) | ESR1MAPT | |
| SCHEMBL83869 | 0.79 | CA2 (0.65) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL18161666 | 0.78 | NR1H2 (0.58) | ESR1 | |
| SCHEMBL3186842 | 0.77 | CA2 (0.48) | CA2CA1ALDH1A1HSD17B10HPGD | |
| SCHEMBL10317959 | 0.77 | CA2 (0.48) | CA2CA1ALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-116444483-A | Preparation method of 1,3-dithiane substituted diene derivative | 兰州大学 | 2023-07-18 | — | — | CN | disclosed |