Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 6/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 6/20 | 0.41 |
| ▸ | REN | P00797 | 2/20 | 0.41 |
| ▸ | CTSE | P14091 | 2/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10718333 | 0.78 | ADAMTS4 (0.47) | CASP3CASP8CASP1CASP7CHRNB2 | |
| SCHEMBL10717475 | 0.76 | REN (0.47) | RENALDH1A1 | |
| SCHEMBL7284748 | 0.76 | CPB2 (0.49) | CPB2 | |
| SCHEMBL7284754 | 0.76 | CPB2 (0.49) | CPB2 | |
| SCHEMBL10715825 | 0.72 | CPB2 (0.43) | CPB2CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7286409 | 0.72 | LTA4H (0.47) | CTSECTSDCPA1CPA2CPA4 | |
| SCHEMBL7286416 | 0.72 | LTA4H (0.47) | CTSECTSDCPA1CPA2CPA4 | |
| SCHEMBL10718349 | 0.71 | CPB2 (0.46) | CPB2 | |
| SCHEMBL10715965 | 0.69 | ACE2 (0.53) | CTSB | |
| SCHEMBL7419603 | 0.68 | CASP3 (0.69) | CASP3CASP8CASP1CASP7CTSD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0209897-A2 | Peptide enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | disclosed |