Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASAH1 | Q13510 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29195662 | 1.00 | ASAH1 (0.44) | ASAH1TDP1ALDH1A1HTTKDM4E | |
| SCHEMBL8792548 | 0.80 | TDP1 (0.46) | ASAH1TDP1HTTLMNASMN1; SMN2 | |
| SCHEMBL9060998 | 0.79 | TDP1 (0.48) | ASAH1TDP1HTTLMNASMN1; SMN2 | |
| SCHEMBL11140162 | 0.77 | ASAH1 (0.47) | ASAH1TDP1HTTLMNASMN1; SMN2 | |
| SCHEMBL8413080 | 0.73 | TDP1 (0.48) | ASAH1TDP1ALDH1A1HTTLMNA | |
| SCHEMBL29195602 | 0.71 | SMN1; SMN2 (0.48) | TDP1HTTNPC1LMNASMN1; SMN2 | |
| SCHEMBL16401979 | 0.70 | TDP1 (0.46) | ASAH1TDP1HTTLMNASMN1; SMN2 | |
| SCHEMBL6530090 | 0.70 | TDP1 (0.46) | TDP1HTTKDM4ENPC1LMNA | |
| SCHEMBL11451311 | 0.70 | TDP1 (0.46) | TDP1HTTKDM4ELMNASMN1; SMN2 | |
| SCHEMBL6529410 | 0.70 | CYP11B1 (0.53) | ASAH1TDP1ALDH1A1HTTNPC1 |
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-117917274-A | Preparation method of novel metal@PCN catalyst and method for preparing 1,2, 4-thiadiazole derivative by using catalyst | 济宁医学院 | 2024-04-23 | — | — | CN | disclosed |