Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 3/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 8/20 | 0.47 |
| ▸ | MMP1 | P03956 | 3/20 | 0.47 |
| ▸ | MMP3 | P08254 | 3/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7412065 | 0.84 | CASP1 (0.48) | MMP8CTSBCASP1MMP2MMP1 | |
| SCHEMBL7404683 | 0.83 | CASP1 (0.59) | MMP8CTSBCASP1MMP3MMP9 | |
| SCHEMBL7401512 | 0.83 | PLA2G10 (0.43) | MMP8CASP1MMP2MMP1MMP3 | |
| SCHEMBL7410635 | 0.81 | MMP8 (0.59) | MMP8CTSBCASP1MMP3MMP9 | |
| SCHEMBL7407874 | 0.78 | MMP8 (0.67) | MMP8CTSBCASP1MMP2MMP1 | |
| SCHEMBL985563 | 0.73 | CHRNB2 (0.77) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL23086284 | 0.73 | PTPN1 (0.68) | CHRNB2CHRNB4CHRNA3CHRNA4PTPN1 | |
| SCHEMBL23091304 | 0.72 | PSMB5 (0.64) | CTSBPSMB5CTSK | |
| SCHEMBL7411011 | 0.72 | MMP3 (0.53) | MMP8CTSBCASP1MMP2MMP1 | |
| SCHEMBL7406669 | 0.72 | MMP3 (0.51) | MMP8CTSBCASP1MMP2MMP1 |
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 |