Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 2/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 7/20 | 0.44 |
| ▸ | CASP3 | P42574 | 3/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | IL1B | P01584 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7411011 | 0.87 | MMP3 (0.53) | MMP8CAPN1CTSBCASP1IL1B | |
| SCHEMBL7407874 | 0.85 | MMP8 (0.67) | MMP8CAPN1CTSBCASP1 | |
| SCHEMBL7448782 | 0.84 | CTSB (0.42) | MMP8CAPN1CTSB | |
| SCHEMBL7410635 | 0.83 | MMP8 (0.59) | MMP8CAPN1CTSBCASP1MMP3 | |
| SCHEMBL7404683 | 0.82 | CASP1 (0.59) | MMP8CAPN1CTSBCASP1MMP3 | |
| SCHEMBL7406669 | 0.82 | MMP3 (0.51) | MMP8CAPN1CTSBCASP1IL1B | |
| SCHEMBL7408170 | 0.82 | CASP1 (0.47) | MMP8CAPN1CTSBCASP1IL1B | |
| SCHEMBL7410916 | 0.81 | MMP3 (0.46) | MMP8CTSBCASP1CASP3CTNNB1 | |
| SCHEMBL7405704 | 0.81 | ANPEP (0.48) | MMP8CTSBCASP1CASP3IL1B | |
| SCHEMBL7411432 | 0.81 | CTSB (0.45) | MMP8CAPN1CTSBCASP1CTNNB1 |
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 |