Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.47 |
| ▸ | MMP3 | P08254 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | IL1B | P01584 | 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 | 0.92 | MMP3 (0.53) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7411007 | 0.92 | CASP1 (0.45) | CASP1MMP3ALDH1A1CTNNB1MMP2 | |
| SCHEMBL7406669 | 0.89 | MMP3 (0.51) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7410916 | 0.88 | MMP3 (0.46) | CASP1MMP3SMN1; SMN2CTNNB1MMP2 | |
| SCHEMBL7411172 | 0.88 | CTNNB1 (0.49) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7411432 | 0.86 | CTSB (0.45) | CASP1MMP3SMN1; SMN2RAB9ACTNNB1 | |
| SCHEMBL7414032 | 0.86 | CASP1 (0.47) | CASP1MMP3HTTCTNNB1MMP2 | |
| SCHEMBL7406317 | 0.83 | MMP3 (0.48) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7408148 | 0.82 | MMP3 (0.44) | CASP1MMP3CTNNB1MMP2MMP8 | |
| SCHEMBL7408402 | 0.82 | MMP8 (0.47) | CASP1MMP3CTNNB1MMP8CTSB |
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 |