Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | ACE | P12821 | 4/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 4/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL5686929 | 1.00 | CASP1 (0.47) | CASP1ACEMMECPA1ACE2 | |
| SCHEMBL5686842 | 0.92 | CASP1 (0.55) | CASP1ACEMMECPA1ACE2 | |
| SCHEMBL5688612 | 0.92 | CASP1 (0.55) | CASP1ACEMMECPA1ACE2 | |
| SCHEMBL5688621 | 0.92 | CASP1 (0.55) | CASP1ACEMMECPA1ACE2 | |
| SCHEMBL5687731 | 0.92 | CASP1 (0.55) | CASP1OPRD1RENBACE1BACE2 | |
| SCHEMBL5687036 | 0.92 | CASP1 (0.55) | CASP1OPRD1RENBACE1BACE2 | |
| SCHEMBL5686900 | 0.89 | CASP1 (0.50) | CASP1ACEMMECPA1ACE2 | |
| SCHEMBL5686887 | 0.89 | CASP1 (0.50) | CASP1ACEMMECPA1ACE2 | |
| SCHEMBL5686688 | 0.84 | CASP1 (0.65) | CASP1OPRD1RENBACE1BACE2 | |
| SCHEMBL5686661 | 0.83 | CASP1 (0.53) | CASP1OPRD1RENCTSBCTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |