Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | REN | P00797 | 4/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5686581 | 1.00 | CASP1 (0.43) | CASP1RENCTSDPTPN1CTSK | |
| SCHEMBL5689425 | 0.94 | CASP1 (0.49) | CASP1RENCTSDCTSKCTSS | |
| SCHEMBL5686703 | 0.93 | REN (0.42) | RENCTSDCTSKCTSBBACE1 | |
| SCHEMBL5686901 | 0.92 | REN (0.46) | CASP1RENCTSDCTSKCTSB | |
| SCHEMBL7198017 | 0.85 | REN (0.46) | CASP1RENCTSDCTSKCTSB | |
| SCHEMBL30008729 | 0.80 | CASP1 (0.59) | CASP1RENCTSDCTSKCTSS | |
| SCHEMBL5686579 | 0.77 | CTSD (0.38) | CTSD | |
| SCHEMBL5689450 | 0.76 | CASP1 (0.50) | CASP1RENCTSDPTPN1CTSK | |
| SCHEMBL5689462 | 0.76 | CASP1 (0.50) | CASP1RENCTSDPTPN1CTSK | |
| SCHEMBL5686896 | 0.75 | ACE (0.55) | CASP1CTSDPTPN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979241-B1 | (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA | IVAX DRUG RES INST LTD (HU) | 2006-03-01 | — | — | EP | disclosed |
| US-6593300-B1 | Inhibitors of the interleukin-1 beta converting enzyme | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2003-07-15 | — | — | US | disclosed |
| EP-0979241-A1 | (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998049189-A1 | (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA | Gyógyszerkutató Intézet Kft. (HU) | 1998-11-05 | — | — | WO | disclosed |