Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | GPR27 | Q9NS67 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | PRKX | P51817 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 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 | |
|---|---|---|---|---|
| SCHEMBL7787001 | 1.00 | HDAC1 (0.47) | HDAC1MAPK1CYP3A4PTGESGPR27 | |
| SCHEMBL7787036 | 0.90 | PKM (0.54) | HDAC1HTTALDH1A1MEN1KMT2A | |
| SCHEMBL7787038 | 0.90 | PKM (0.54) | HDAC1HTTALDH1A1MEN1KMT2A | |
| SCHEMBL7786963 | 0.84 | CAPN1 (0.50) | HDAC1PTGESGPR27HTTALDH1A1 | |
| SCHEMBL7786967 | 0.84 | CAPN1 (0.50) | HDAC1PTGESGPR27HTTALDH1A1 | |
| SCHEMBL7782130 | 0.82 | MAPK1 (0.58) | HDAC1MAPK1CYP3A4ALDH1A1ROCK2 | |
| SCHEMBL7380786 | 0.82 | MAPK1 (0.58) | HDAC1MAPK1CYP3A4ALDH1A1ROCK2 | |
| SCHEMBL7376752 | 0.78 | MAPK1 (0.51) | MAPK1CYP3A4ROCK2ROCK1RPS6KA5 | |
| SCHEMBL7383243 | 0.78 | MAPK1 (0.51) | MAPK1CYP3A4ROCK2ROCK1RPS6KA5 | |
| SCHEMBL7789864 | 0.78 | MEN1 (0.52) | HDAC1GPR27ALDH1A1MEN1KMT2A |
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 |