Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL23112667 | 0.85 | CYP2C19 (0.39) | ALDH1A1CYP3A4HTTTSHRMEN1 | |
| SCHEMBL28970482 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HPGDTSHRMEN1 | |
| SCHEMBL15918392 | 0.82 | CASP1 (0.50) | ALDH1A1CYP3A4HTTTSHRMEN1 | |
| SCHEMBL29019490 | 0.82 | HTT (0.43) | ALDH1A1CYP3A4HTTHPGDTSHR | |
| SCHEMBL28803319 | 0.82 | CASP1 (0.46) | ALDH1A1CYP3A4HPGDTSHRMEN1 | |
| SCHEMBL4014931 | 0.79 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HTTHPGDTSHR | |
| SCHEMBL27004053 | 0.78 | CYP2C19 (0.42) | ALDH1A1CYP3A4HTTTSHRMEN1 | |
| SCHEMBL22979116 | 0.78 | CYP2C19 (0.36) | ALDH1A1CYP3A4HTTTSHRMEN1 | |
| SCHEMBL15918564 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CYP3A4HTTTSHRMEN1 | |
| SCHEMBL28970489 | 0.75 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HTTHPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-114478627-B | Allylated monophosphine ligand and preparation method thereof | 湖北大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-112469412-A | Substituted dihydropyrazolopyrazine carboxamide derivatives | 拜耳公司 | 2021-03-09 | — | — | CN | disclosed |