Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 5/20 | 0.59 |
| ▸ | LOX | P28300 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 4/20 | 0.44 |
| ▸ | MMP8 | P22894 | 4/20 | 0.44 |
| ▸ | MMP13 | P45452 | 4/20 | 0.44 |
| ▸ | MMP9 | P14780 | 3/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 3/20 | 0.40 |
| ▸ | MMP14 | P50281 | 3/20 | 0.40 |
| ▸ | MMP16 | P51512 | 3/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651581 | 0.82 | LOX (0.53) | LOXHSD11B1ALDH1A1HPGD | |
| SCHEMBL28645837 | 0.82 | LOX (0.55) | LOXGAA | |
| SCHEMBL14486413 | 0.77 | PKM (1.00) | PKMLOXGAACA2MMP2 | |
| SCHEMBL13074716 | 0.77 | PKM (1.00) | PKMLOXGAACA2MMP2 | |
| SCHEMBL835692 | 0.77 | PKM (1.00) | PKMLOXGAACA2MMP2 | |
| Hydrochloric Acid SCHEMBL28644204 | 0.77 | LOX (0.55) | LOXCA2MMP2MMP8MMP13 | |
| Hydrochloric Acid SCHEMBL28661275 | 0.76 | LOXL2 (0.67) | LOX | |
| SCHEMBL28156749 | 0.76 | CFTR (0.47) | PKMLOXGAACA2CFTR | |
| SCHEMBL28646901 | 0.76 | LOXL2 (0.58) | PKMLOX | |
| SCHEMBL19259654 | 0.75 | PKM (0.59) | PKMLOXGAACA2CFTR |
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-109311839-B | Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer | 癌症研究协会皇家癌症医院 | 2021-11-02 | — | — | CN | disclosed |