Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.68 |
| ▸ | MGLL | Q99685 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 4/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL284603 | 0.81 | ALDH1A1 (0.74) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL24804 | 0.81 | ALDH1A1 (1.00) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL3160089 | 0.79 | ALDH1A1 (0.71) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL11159276 | 0.79 | ALDH1A1 (0.95) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL24360190 | 0.77 | ALDH1A1 (0.91) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL980821 | 0.77 | ALDH1A1 (0.68) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL31568022 | 0.77 | ALDH1A1 (0.68) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL11294396 | 0.77 | ALDH1A1 (0.68) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL21821541 | 0.77 | ALDH1A1 (0.68) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL8406374 | 0.77 | ALDH1A1 (0.83) | ALDH1A1ALDH2MGLLCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018069525-A1 | COMPOSITIONS COMPRISING A METAL SOURCE, DITHIOCARBAMATE AND CYCLODEXTRIN | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2018-04-19 | — | — | WO | disclosed |