Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 3/20 | 0.43 |
| ▸ | CASP6 | P55212 | 3/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | IL1B | P01584 | 1/20 | 0.40 |
| ▸ | CCKBR | P32239 | 3/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL7411011 | 0.86 | MMP3 (0.53) | CASP1MMP8CTSBIL1BCTNNB1 | |
| SCHEMBL7411432 | 0.84 | CTSB (0.45) | CASP1MMP8CTSBCCKBRCTNNB1 | |
| SCHEMBL7407874 | 0.82 | MMP8 (0.67) | ANPEPCASP1MMP8CTSB | |
| SCHEMBL7408402 | 0.81 | MMP8 (0.47) | CASP1MMP8CASP3CTSBIL1B | |
| SCHEMBL7406669 | 0.81 | MMP3 (0.51) | CASP1MMP8CTSBIL1BCTNNB1 | |
| SCHEMBL7408170 | 0.81 | CASP1 (0.47) | CASP1MMP8CTSBIL1BCTNNB1 | |
| SCHEMBL7406317 | 0.80 | MMP3 (0.48) | CASP1MMP8CTSBIL1BCTNNB1 | |
| SCHEMBL7411007 | 0.80 | CASP1 (0.45) | CASP1MMP8CTSBIL1BCTNNB1 | |
| SCHEMBL14582929 | 0.80 | ANPEP (0.57) | ANPEPCASP1MMP8CASP3CASP6 | |
| SCHEMBL7410916 | 0.80 | MMP3 (0.46) | CASP1MMP8CASP3CTSBCTNNB1 |
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 |