Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14369584 | 0.87 | ESR1 (0.42) | ESR1 | |
| SCHEMBL8983871 | 0.80 | LMNA (0.40) | LMNACYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL17721362 | 0.79 | NR1H2 (0.38) | ESR1 | |
| SCHEMBL2008775 | 0.78 | TAAR1 (0.39) | LMNACYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL4734052 | 0.78 | LMNA (0.38) | LMNACYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL8755990 | 0.77 | ACHE (0.42) | LMNACYP2A6ALDH1A1KDM4EHPGD | |
| SCHEMBL4761147 | 0.75 | NR1H2 (0.43) | ESR1 | |
| SCHEMBL2622739 | 0.75 | ESR1 (0.62) | LMNAALDH1A1KDM4EHPGDESR1 | |
| SCHEMBL2003777 | 0.75 | TAAR1 (0.41) | LMNACYP2A6SLC6A3SLC6A2HTR2A | |
| SCHEMBL9226507 | 0.74 | MAPT (0.45) | LMNAALDH1A1KDM4EHPGDESR1 |
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 |