Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | LIG1 | P18858 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650427 | 0.94 | TDP1 (0.39) | TDP1MMP13MMP1LIG1MMP2 | |
| SCHEMBL28650428 | 0.94 | TDP1 (0.39) | TDP1MMP13MMP1LIG1MMP2 | |
| SCHEMBL28645523 | 0.91 | SLC6A9 (0.41) | TDP1MMP13MMP1KDM1ARCOR1 | |
| SCHEMBL28661979 | 0.91 | DDB1 (0.46) | MMP13MMP1MMP2MMP3MMP9 | |
| SCHEMBL28645524 | 0.91 | SLC6A9 (0.41) | TDP1MMP13MMP1KDM1ARCOR1 | |
| SCHEMBL28661976 | 0.91 | DDB1 (0.46) | MMP13MMP1MMP2MMP3MMP9 | |
| SCHEMBL28664428 | 0.85 | MEN1 (0.38) | TDP1LMNAALDH1A1 | |
| SCHEMBL28664431 | 0.85 | MEN1 (0.38) | TDP1LMNAALDH1A1 | |
| SCHEMBL28639815 | 0.83 | DDB1 (0.49) | MMP13ALDH1A1RECQL | |
| SCHEMBL30823806 | 0.82 | DDB1 (0.51) | MMP13MMP1LMNAKDM1AHSD11B1 |
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-113461599-B | Process for preparing piperidone compounds | 南方科技大学 | 2024-02-09 | — | — | CN | disclosed |