Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 10/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | GPR27 | Q9NS67 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7786963 | 1.00 | CAPN1 (0.50) | CAPN1HDAC1PTGESGPR27POLB | |
| SCHEMBL7787082 | 0.91 | NAMPT (0.46) | CAPN1ALDH1A1 | |
| SCHEMBL7787084 | 0.91 | NAMPT (0.46) | CAPN1ALDH1A1 | |
| SCHEMBL7787019 | 0.90 | CAPN1 (0.53) | CAPN1HDAC1ALDH1A1HTT | |
| SCHEMBL7787021 | 0.90 | CAPN1 (0.53) | CAPN1HDAC1ALDH1A1HTT | |
| SCHEMBL7787001 | 0.84 | HDAC1 (0.47) | HDAC1PTGESGPR27ALDH1A1HTT | |
| SCHEMBL7787004 | 0.84 | HDAC1 (0.47) | HDAC1PTGESGPR27ALDH1A1HTT | |
| SCHEMBL7374841 | 0.82 | MEN1 (0.53) | CAPN1HDAC1ALDH1A1 | |
| SCHEMBL7791366 | 0.82 | MEN1 (0.53) | CAPN1HDAC1ALDH1A1 | |
| SCHEMBL7378076 | 0.82 | CAPN1 (0.53) | CAPN1PTGESPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |