Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.42 |
| ▸ | MMP10 | P09238 | 3/20 | 0.42 |
| ▸ | MMP9 | P14780 | 3/20 | 0.42 |
| ▸ | MMP8 | P22894 | 3/20 | 0.42 |
| ▸ | MMP12 | P39900 | 3/20 | 0.42 |
| ▸ | MMP13 | P45452 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 2/20 | 0.42 |
| ▸ | MMP14 | P50281 | 2/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 6/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406759 | 0.97 | MMP2 (0.41) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7408851 | 0.97 | MMP2 (0.41) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7406948 | 0.87 | MMP2 (0.46) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7405189 | 0.86 | HDAC1 (0.40) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7508772 | 0.86 | CASP3 (0.47) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7409822 | 0.85 | CASP1 (0.46) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7409833 | 0.84 | FFAR4 (0.39) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7514635 | 0.84 | CTNNB1 (0.42) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7414140 | 0.83 | CASP1 (0.47) | MMP2MMP10MMP9MMP8MMP12 | |
| SCHEMBL7408486 | 0.83 | CASP3 (0.45) | MMP2MMP10MMP9MMP8MMP12 |
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-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | disclosed |