Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.57 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 9/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.48 |
| ▸ | MEN1 | O00255 | 7/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14478913 | 1.00 | SIRT2 (0.57) | SIRT2SIRT1MAPTALDH1A1HTT | |
| SCHEMBL28644620 | 0.82 | SIRT2 (0.53) | SIRT2SIRT1MAPTALDH1A1HTT | |
| SCHEMBL5469699 | 0.77 | NPC1 (0.64) | SIRT2SIRT1NPC1 | |
| SCHEMBL5469703 | 0.77 | NPC1 (0.64) | SIRT2SIRT1NPC1 | |
| SCHEMBL16426517 | 0.77 | NPC1 (0.64) | SIRT2SIRT1NPC1 | |
| SCHEMBL11327586 | 0.76 | MAPT (0.52) | MAPTALDH1A1HTTSMN1; SMN2NPSR1 | |
| SCHEMBL11907672 | 0.75 | SIRT2 (0.77) | SIRT2SIRT1MAPTALDH1A1NPSR1 | |
| SCHEMBL7170459 | 0.74 | ALDH1A1 (0.66) | SIRT2SIRT1MAPTALDH1A1HTT | |
| SCHEMBL7170445 | 0.74 | ALDH1A1 (0.66) | SIRT2SIRT1MAPTALDH1A1HTT | |
| SCHEMBL9764642 | 0.74 | KDM4E (0.63) | SIRT2SIRT1MAPTALDH1A1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116162076-B | Spirocyclic gamma-butyrolactone containing carboxylic acid tert-butyl ester and 1, 3-indene diketone structure and preparation method thereof | 南京工业大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-116162076-A | Spirocyclic gamma-butyrolactone containing carboxylic acid tert-butyl ester and 1, 3-indene diketone structure and preparation method thereof | 南京工业大学 | 2023-05-26 | — | — | CN | disclosed |
| CN-112724042-B | Synthesis method of one-pot polysubstituted decalin derivative | 甘肃农业大学 | 2023-04-28 | — | — | CN | disclosed |