Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 5/20 | 0.51 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.44 |
| ▸ | PRKX | P51817 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.44 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782243 | 1.00 | PIN1 (0.51) | PIN1SLC16A3F2ROCK2RPS6KA5 | |
| SCHEMBL7789803 | 0.86 | CAPN1 (0.48) | PIN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7789807 | 0.86 | CAPN1 (0.48) | PIN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7789330 | 0.85 | ALDH1A1 (0.57) | PIN1SLC16A3F2ROCK2RPS6KA5 | |
| SCHEMBL7789327 | 0.85 | ALDH1A1 (0.57) | PIN1SLC16A3F2ROCK2RPS6KA5 | |
| SCHEMBL7791335 | 0.83 | AKR1C3 (0.54) | PIN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7791333 | 0.83 | AKR1C3 (0.54) | PIN1SLC16A3F2ALDH1A1LMNA | |
| SCHEMBL7786990 | 0.83 | BCL2 (0.51) | PIN1SLC16A3F2MEN1KMT2A | |
| SCHEMBL7786988 | 0.83 | BCL2 (0.51) | PIN1SLC16A3F2MEN1KMT2A | |
| SCHEMBL7787038 | 0.83 | PKM (0.54) | PIN1F2ALDH1A1LMNAGAA |
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 |