Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.41 |
| ▸ | REN | P00797 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7404509 | 0.85 | MME (0.40) | CTSBCAPN1 | |
| SCHEMBL7408402 | 0.84 | MMP8 (0.47) | CTSBCAPN1MMP8 | |
| SCHEMBL7412892 | 0.82 | MME (0.39) | CTSB | |
| SCHEMBL7406513 | 0.80 | MMP1 (0.42) | ALDH1A1 | |
| SCHEMBL7406281 | 0.79 | HDAC4 (0.39) | CTSBREN | |
| SCHEMBL7409752 | 0.78 | MMP3 (0.40) | CTSBMMP8 | |
| SCHEMBL7406391 | 0.77 | CTSB (0.44) | CTSBCAPN1 | |
| SCHEMBL7407508 | 0.74 | MMP3 (0.40) | CTSBRENPSMB5MMP8 | |
| SCHEMBL24759756 | 0.73 | CTSK (0.61) | CTSBPSMB5 | |
| SCHEMBL5492221 | 0.73 | PSMB5 (0.64) | CTSBPSMB5 |
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 |